SCHEMBL4651777

SCHEMBL4651777

COc1ccc(CN[C@@H](CCCNC(=N)N)C(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ CASR P41180 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NPY1R P25929 6/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ TLR2 O60603 1/20 0.43
▸ BMP1 P13497 2/20 0.43
▸ EPHX1 P07099 1/20 0.41
▸ NPY4R P50391 2/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ MC3R P41968 1/20 0.41
▸ MC1R Q01726 1/20 0.41

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
SCHEMBL4651833 0.92 CNR1 (0.47) CNR1CNR2CASRALDH1A1NPSR1
SCHEMBL4651881 0.90 CTSD (0.43) CNR1CNR2CASRALDH1A1TLR2
SCHEMBL5057899 0.88 NPY1R (0.53) NPY1RNPY4RNPY5R
SCHEMBL1388313 0.87 NPY1R (0.44) CNR1NPY1RTLR2NPY4RNPY5R
SCHEMBL4651789 0.87 TRPV1 (0.43) NPSR1NPY1RMC4RMC3RMC1R
SCHEMBL4651537 0.87 CYP3A4 (0.46) ALDH1A1NPY1RTLR2MC4RMC3R
SCHEMBL1388761 0.86 NPY1R (0.51) NPY1RNPY4RNPY5R
Hydrochloric Acid SCHEMBL9204380 0.85 CNR1 (0.46) CNR1CNR2CASRALDH1A1NPSR1
SCHEMBL8528706 0.84 TMPRSS11D (0.43) NPY1RTLR2NPY4RNPY5R
SCHEMBL8122927 0.84 NPY1R (0.42) NPY1RTLR2NPY4RNPY5R

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP 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-20040029953-A1 Use of neuropeptide-y antagonists in treatment of alcoholism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-02-12 — — US disclosed
EP-0838217-B1 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI SYNTHELABO (FR) 2003-01-15 — — EP 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
EP-1132463-A2 Cosmetic composition comprising an antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-09-12 — — EP disclosed
EP-1093803-A2 Cosmetic composition comprising antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-04-25 — — EP disclosed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
EP-0838217-A2 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI (FR) 1998-04-29 — — EP disclosed
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