SCHEMBL7936846

SCHEMBL7936846

O=C(c1ccc(OCCN2CCCC2)cc1)c1c(-c2ccccc2)sc2ccccc12

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.98
ESR2 Q92731 18/20 0.98
F2 P00734 1/20 0.78
MEN1 O00255 2/20 0.71
ALDH1A1 P00352 2/20 0.71
LMNA P02545 2/20 0.71
TP53 P04637 2/20 0.71
CYP3A4 P08684 2/20 0.71
MAPT P10636 2/20 0.71
ALOX15 P16050 2/20 0.71
KMT2A Q03164 2/20 0.71
HSD17B10 Q99714 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
PLD2 O14939 1/20 0.71
KDM1A O60341 1/20 0.71
NR1I2 O75469 1/20 0.71
USP2 O75604 1/20 0.71
C5 P01031 1/20 0.71
FYN P06241 1/20 0.71
PGR P06401 1/20 0.71

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
SCHEMBL7135518 0.99 ESR1 (1.00) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL7944422 0.99 ESR1 (1.00) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL6595547 0.97 ESR1 (0.92) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL6595743 0.96 ESR1 (0.94) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL11546929 0.96 ESR1 (0.90) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL6597972 0.96 ESR1 (0.94) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL11551242 0.95 ESR1 (0.92) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL11552983 0.95 ESR1 (0.92) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL7775840 0.94 ESR1 (0.87) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL7451884 0.94 ESR1 (0.87) ESR1ESR2F2MEN1ALDH1A1

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 18 patents. 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
US-5663192-A PSYCHOLOGICAL DISORDERS USING INDOLE, BENZOTHIOPHENE OR BENZOFURANS WITH AMINO AND ALKOXYBENZOYL GROUPS ELI LILLY AND COMPANY (US) 1997-09-02 US 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
EP-0735821-A1 METHODS FOR THE TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH AMYLOIDOGENIC REPTIDES ELI LILLY AND COMPANY (US) 1996-10-09 EP disclosed
EP-0716854-A2 Compositions for inhibiting neuropeptide y receptors ELI LILLY AND COMPANY (US) 1996-06-19 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
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
US-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed