SCHEMBL4650858

SCHEMBL4650858

NC(=O)[C@@H](CCCNc1ncc[nH]1)N(Cc1ccc(O)cc1)C(=O)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.38
ITGAV P06756 6/20 0.38
ITGA2B P08514 6/20 0.38
MAPK14 Q16539 7/20 0.37
F7 P08709 2/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
OPRM1 P35372 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
TRPC3 Q13507 1/20 0.33
TRPC7 Q9HCX4 1/20 0.33
TRPC5 Q9UL62 1/20 0.33

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 SCHEMBL8120478 0.99 ITGB3 (0.38) ITGB3ITGAVITGA2BMAPK14F7
SCHEMBL7801973 0.89 MC3R (0.38) ITGB3ITGAVITGA2BTRPC3TRPC7
SCHEMBL7750609 0.87 ROCK1 (0.38) ITGB3ITGAVITGA2BTRPC3TRPC7
SCHEMBL8119519 0.87 NPC1 (0.38) OPRM1TMEM97SIGMAR1
SCHEMBL7750605 0.81 NPY1R (0.33) ITGB3ITGAVITGA2B
SCHEMBL7750702 0.81 F7 (0.43) MAPK14F7F2F10ESR1
SCHEMBL7746039 0.80 ITGB3 (0.33) ITGB3ITGAVITGA2B
SCHEMBL8121355 0.77 TGM2 (0.42) OPRM1TMEM97SIGMAR1
SCHEMBL8111790 0.76 ESR1 (0.39) MAPK14F7F2F10ESR1
SCHEMBL8111678 0.76 ITGB3 (0.32) ITGB3ITGAVITGA2B

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 5 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
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-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