SCHEMBL7946033

SCHEMBL7946033

O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)oc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.65
ESR2 Q92731 14/20 0.65
CNR1 P21554 2/20 0.59
ACHE P22303 2/20 0.59
BCHE P06276 1/20 0.59
CNR2 P34972 1/20 0.59
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
TP53 P04637 2/20 0.58
CYP3A4 P08684 2/20 0.58
MAPT P10636 2/20 0.58
ALOX15 P16050 2/20 0.58
KMT2A Q03164 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
PLD2 O14939 1/20 0.58
KDM1A O60341 1/20 0.58
NR1I2 O75469 1/20 0.58
USP2 O75604 1/20 0.58

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
Hydrochloric Acid SCHEMBL6749954 0.99 ESR1 (0.66) ESR1ESR2CNR1ACHEBCHE
SCHEMBL7452408 0.99 ESR1 (0.64) ESR1ESR2CNR1ACHEBCHE
SCHEMBL7452011 0.95 CNR1 (0.64) ESR1ESR2CNR1ACHEBCHE
SCHEMBL11734690 0.93 LTA4H (0.63) ESR1ESR2CNR1ACHEBCHE
SCHEMBL11730136 0.91 L3MBTL1 (0.68) ESR1ESR2CNR1ACHEBCHE
Hydrochloric Acid SCHEMBL6748794 0.91 L3MBTL1 (0.67) ESR1ESR2CNR1ACHEBCHE
SCHEMBL7447390 0.90 L3MBTL1 (0.69) ESR1ESR2CNR1ACHEBCHE
SCHEMBL5318932 0.90 ESR1 (0.71) ESR1ESR2CNR1ACHEMEN1
SCHEMBL4653091 0.90 ESR1 (0.71) ESR1ESR2CNR1ACHEMEN1
Hydrochloric Acid SCHEMBL7942834 0.90 ESR1 (0.70) ESR1ESR2CNR1ACHEMEN1

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 21 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
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-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-0736007-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-09 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-1996012489-A1 BICYCLIC NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-05-02 WO 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
WO-1995017382-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1995-06-29 WO disclosed