SCHEMBL7945706

SCHEMBL7945706

COc1ccc(C(=O)C2C(=O)CCc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MAPK1 P28482 1/20 0.51
▸ GAA P10253 2/20 0.50
▸ DHODH Q02127 1/20 0.49
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GID4 Q8IVV7 1/20 0.45
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7136674 0.86 MAPK1 (0.51) ALDH1A1MAPK1GAARAB9ANPC1
SCHEMBL30799429 0.80 PIN1 (0.64) ALDH1A1OPRM1OPRK1CYP1A2CYP2D6
SCHEMBL11185374 0.78 RAB9A (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5400138 0.76 CHRM2 (0.45) ALDH1A1OPRM1OPRK1CYP1A2CYP2D6
SCHEMBL6970354 0.76 MAPT (0.68) ALDH1A1CYP1A2CYP2C19MAPK1GAA
SCHEMBL808897 0.75 GID4 (0.55) ALDH1A1OPRM1OPRK1CYP1A2CYP2D6
SCHEMBL9517278 0.74 ACP3 (0.46) ALDH1A1GAA
SCHEMBL28522303 0.73 ACP3 (0.48) ALDH1A1CYP1A2CYP2D6CYP2C19GAA
SCHEMBL11622792 0.72 ALDH1A1 (0.51) ALDH1A1OPRM1OPRK1CYP1A2CYP2D6
SCHEMBL1161912 0.72 TSHR (0.49) ALDH1A1OPRM1CYP1A2CYP2D6CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221838-B1 Methods of treating neuropeptide Y-associated conditions ELI LILLY AND COMPANY 2001-04-24 — — US disclosed
US-6124311-A ADMINISTERING ONCOLYTIC AGENT WITH ENHANCED MULTIDRUG RESISTANCE REVERSING AMOUNT OF SPECIFIED COMPOUND ELI LILLY AND COMPANY (US) 2000-09-26 — — US disclosed
US-6121292-A BY ADMINSTERING A SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE, INDOLE, OR (DIHYDRO)NAPHTHYLENE, OF GIVEN FORMULA SUCH AS (6-(N-BUTYLSULFONOYL)-2-(4(N-BUTYLSULFONYL)PHENYL)BENZO(B)-THIEN-3-YL)(4(2 -(1-PIPERIDINYL)ETHOXY)PHENYL)METHANONE ELI LILLY AND COMPANY (US) 2000-09-19 — — US disclosed
US-5972888-A LOWERING THE PRODUCTION OR RELEASE OF NEUROPEPTIDE Y WHICH COMPRISES ADMINISTERING TO A MAMMAL IN NEED THEREOF AN EFFECTIVE AMOUNT OF AN ISOLATED NATURALLY OCCURRING OBESITY PROTEIN, OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ELI LILLY AND COMPANY (US) 1999-10-26 — — US disclosed
EP-0895781-A2 Use of benzofurans, benzothiophenes or indoles for the manufacture of a medicament for the treatment of conditions associated with an excess of tachykinins ELI LILLY AND COMPANY (US) 1999-02-10 — — EP disclosed
EP-0735821-A4 METHODS FOR THE TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH AMYLOIDOGENIC REPTIDES LILLY CO ELI (US) 1998-04-01 — — EP disclosed
EP-0820769-A2 Use of benzothiophenes for the manufacture of a medicament for the treatment of diseases associated with an excess of tachykinis ELI LILLY AND COMPANY (US) 1998-01-28 — — EP disclosed
EP-0736007-A4 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-03-19 — — EP disclosed
EP-0759441-A2 Methods of treating neuropeptide Y-associated conditions ELI LILLY AND COMPANY (US) 1997-02-26 — — EP disclosed
EP-0754464-A2 Methods of treating neuropeptide Y-associated conditions ELI LILLY AND COMPANY (US) 1997-01-22 — — EP disclosed
WO-1996012488-A1 BICYCLIC BRADYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-05-02 — — WO disclosed
EP-0709090-A2 Compositions for treating resistant tumors ELI LILLY AND COMPANY (US) 1996-05-01 — — EP disclosed
WO-1996011677-A1 METHODS FOR TREATING RESISTANT TUMORS ELI LILLY AND COMPANY (US) 1996-04-25 — — WO disclosed
EP-0707852-A2 Bicyclic bradykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-04-24 — — EP disclosed
US-5491140-A ADMINISTERING TO A MAMMAL SUFFERING FROM NERVOUS SYSTEM DISORDERS, RESPIRATORY SYSTEM DISORDERS, UROGENITAL DISORDERS ARTHRITIS, RHEUMATOID, OSTEOPROSIS, PERSISTENT PAIN, MIGRAIN OR POST-OPERATIVE PAIN ELI LILLY AND COMPANY (US) 1996-02-13 — — US disclosed
WO-1995017095-A1 METHODS FOR THE TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH AMYLOIDOGENIC REPTIDES ELI LILLY AND COMPANY (US) 1995-06-29 — — WO disclosed
WO-1995017382-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1995-06-29 — — WO disclosed
US-4400543-A ANTIFERTILITY AGENTS ELI LILLY AND COMPANY (US) 1983-08-23 — — US disclosed
US-4323707-A USEFUL FOR AMIMALS, AROYL-PHENYL-NAPHTHALENES OR DIHYDRONAPHTHALENES ELI LILLY AND COMPANY (US) 1982-04-06 — — US disclosed
US-4230862-A 3-PHENYL-4-AROYL-1,2-DIHYDRONAPHTHALENES AND 1-ARYOYL-2-PHENYLNAPHTHALENES ELI LILLY AND COMPANY (US) 1980-10-28 — — US disclosed
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