SCHEMBL4650719

SCHEMBL4650719

CC(C)N(CCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)oc3cc(O)ccc23)cc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.51
ESR2 Q92731 3/20 0.51
CNR1 P21554 7/20 0.50
BCHE P06276 7/20 0.50
CNR2 P34972 5/20 0.50
APP P05067 1/20 0.50
SLC2A1 P11166 1/20 0.49
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC22A12 Q96S37 1/20 0.47
ACHE P22303 3/20 0.47
MCHR1 Q99705 1/20 0.46

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 SCHEMBL7936198 0.99 ESR1 (0.50) ESR1ESR2CNR1BCHECNR2
SCHEMBL4651826 0.89 ESR1 (0.60) ESR1ESR2CNR1BCHECNR2
SCHEMBL4651843 0.88 CNR2 (0.64) CNR1BCHECNR2APPSLC2A1
SCHEMBL4651542 0.87 APP (0.63) ESR1ESR2CNR1BCHECNR2
Hydrochloric Acid SCHEMBL7947836 0.86 APP (0.62) ESR1ESR2CNR1BCHECNR2
SCHEMBL8978094 0.85 CNR1 (0.60) ESR1CNR1BCHECNR2APP
SCHEMBL7628552 0.79 ESR1 (0.64) ESR1ESR2CNR1CYP3A4MAPT
SCHEMBL8591606 0.78 ESR1 (0.70) ESR1ESR2CNR1CYP3A4MAPT
SCHEMBL5318932 0.78 ESR1 (0.71) ESR1ESR2CNR1CYP3A4MAPT
SCHEMBL4653091 0.78 ESR1 (0.71) ESR1ESR2CNR1CYP3A4MAPT

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-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-1996012489-A1 BICYCLIC NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-05-02 WO 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
US-6313128-B1 CAN BE USED AS LYPOLYSIS/LYPOGENESIS REGULATORS IN THE SKIN WITHOUT, INTERFERRING WITH THE SKIN'S NATURAL FUNCTIONS; FOR THERAPY OF SABORRHEA AND ACNE SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
US-6114336-A Cosmetic composition containing a neuropeptide Y receptor antagonist SANOFI (FR) 2000-09-05 US disclosed
US-5827853-A MIXTURE CONTAINING PRODUCT FROM FERMENTATION BY STREPTOMYCES FOR TOPICAL APPLICATION TO SKIN OR HAIR, TO IMPROVE TEXTURE, SURFACE SMOOTHNESS, FIRMNESS SANOFI (FR) 1998-10-27 US disclosed
EP-0838217-A2 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI (FR) 1998-04-29 EP disclosed
EP-0715624-A1 PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-06-12 EP disclosed