SCHEMBL383095

SCHEMBL383095

CC(C)(C)N(OC(=O)CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(Cl)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.46
ITGAV P06756 6/20 0.46
ITGA2B P08514 6/20 0.46
NPY2R P49146 3/20 0.40
PARP1 P09874 2/20 0.36
EPHX2 P34913 1/20 0.36
P2RY12 Q9H244 1/20 0.36
USP5 P45974 1/20 0.36
ADRA2A P08913 1/20 0.36
MCHR1 Q99705 1/20 0.36
SSTR5 P35346 1/20 0.35
KCNH2 Q12809 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL382456 0.92 ITGB3 (0.47) ITGB3ITGAVITGA2BNPY2RADRA2A
SCHEMBL382188 0.92 ITGB3 (0.49) ITGB3ITGAVITGA2BADRA2ADRD2
SCHEMBL6497814 0.91 ITGB3 (0.41) ITGB3ITGAVITGA2BADRA2AMCHR1
SCHEMBL383158 0.90 ITGB3 (0.44) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6499244 0.88 CNR1 (0.38) ITGB3ITGAVITGA2BADRA2AKCNH2
SCHEMBL383437 0.88 ITGB3 (0.47) ITGB3ITGAVITGA2BNPY2RADRA2A
SCHEMBL383012 0.88 ITGB3 (0.46) ITGB3ITGAVITGA2BADRA2ADRD2
SCHEMBL383350 0.87 CASR (0.42) ITGB3ITGAVITGA2BMCHR1
SCHEMBL383252 0.87 CASR (0.42) ITGB3ITGAVITGA2BMCHR1
SCHEMBL382297 0.86 ITGB3 (0.44) ITGB3ITGAVITGA2BADRA2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed