SCHEMBL4652009

SCHEMBL4652009

COc1ccc(-c2sc3ccccc3c2C(=O)c2ccc(OCCN(C)C)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.75
CNR1 P21554 3/20 0.75
PAX8 Q06710 1/20 0.70
ESR1 P03372 10/20 0.68
ESR2 Q92731 10/20 0.68
ITGA4 P13612 1/20 0.61
NAPEPLD Q6IQ20 1/20 0.61
ATM Q13315 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HCRTR1 O43613 1/20 0.54

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
SCHEMBL11550720 0.96 CNR1 (0.67) CNR2CNR1PAX8ESR1ESR2
SCHEMBL8733651 0.93 CNR2 (0.66) CNR2CNR1PAX8ESR1ESR2
SCHEMBL11547037 0.93 CNR1 (0.62) CNR2CNR1PAX8ESR1ESR2
SCHEMBL11545740 0.92 ESR1 (0.67) CNR2CNR1PAX8ESR1ESR2
SCHEMBL4651840 0.92 ESR1 (0.67) CNR2CNR1PAX8ESR1ESR2
SCHEMBL11555855 0.91 ESR1 (0.68) CNR2CNR1PAX8ESR1ESR2
SCHEMBL4650716 0.90 CNR2 (0.72) CNR2CNR1PAX8ESR1ESR2
SCHEMBL11550741 0.90 CNR2 (0.72) CNR2CNR1PAX8ESR1ESR2
SCHEMBL11548759 0.89 ESR1 (0.66) CNR2CNR1PAX8ESR1ESR2
SCHEMBL4651853 0.89 CNR2 (0.71) CNR2CNR1PAX8ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0735821-A4 METHODS FOR THE TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH AMYLOIDOGENIC REPTIDES LILLY CO ELI (US) 1998-04-01 EP claimed
US-5663192-A PSYCHOLOGICAL DISORDERS USING INDOLE, BENZOTHIOPHENE OR BENZOFURANS WITH AMINO AND ALKOXYBENZOYL GROUPS ELI LILLY AND COMPANY (US) 1997-09-02 US claimed
EP-0736007-A4 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-03-19 EP claimed
EP-0736007-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-09 EP claimed
EP-0735821-A1 METHODS FOR THE TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH AMYLOIDOGENIC REPTIDES ELI LILLY AND COMPANY (US) 1996-10-09 EP claimed
EP-0716854-A2 Compositions for inhibiting neuropeptide y receptors ELI LILLY AND COMPANY (US) 1996-06-19 EP claimed
WO-1996012488-A1 BICYCLIC BRADYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-05-02 WO claimed
EP-0709090-A2 Compositions for treating resistant tumors ELI LILLY AND COMPANY (US) 1996-05-01 EP claimed
WO-1996011677-A1 METHODS FOR TREATING RESISTANT TUMORS ELI LILLY AND COMPANY (US) 1996-04-25 WO claimed
EP-0707852-A2 Bicyclic bradykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-04-24 EP claimed
WO-1995017095-A1 METHODS FOR THE TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH AMYLOIDOGENIC REPTIDES ELI LILLY AND COMPANY (US) 1995-06-29 WO claimed
WO-1995017382-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1995-06-29 WO claimed
EP-1093803-B1 Cosmetic composition comprising an antagonist of the neuropeptide Y receptor SANOFI AVENTIS (FR) 2008-09-17 EP disclosed
WO-2007077333-A2 USE OF A NEUROPEPTIDE Y ANTAGONIST FOR DAMAGED OR SENSITIVE LIPS L'OREAL (FR) 2007-07-12 WO disclosed
EP-0838217-B1 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI SYNTHELABO (FR) 2003-01-15 EP disclosed
EP-1093803-A2 Cosmetic composition comprising antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-04-25 EP disclosed
US-6114336-A Cosmetic composition containing a neuropeptide Y receptor antagonist SANOFI (FR) 2000-09-05 US disclosed
EP-0838217-A2 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI (FR) 1998-04-29 EP disclosed
US-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed