SCHEMBL383098

SCHEMBL383098

CC(C)(C)[C@](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(Cl)c1)(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.50
ITGAV P06756 8/20 0.50
ITGA2B P08514 8/20 0.50
NPY2R P49146 5/20 0.41
P2RY12 Q9H244 2/20 0.39
EPHX2 P34913 1/20 0.38
PARP1 P09874 3/20 0.36
USP5 P45974 1/20 0.36

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
SCHEMBL382826 0.92 ITGB3 (0.51) ITGB3ITGAVITGA2BNPY2R
SCHEMBL382191 0.90 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL6497874 0.90 ITGB3 (0.44) ITGB3ITGAVITGA2BNPY2REPHX2
SCHEMBL383161 0.88 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL6499277 0.88 SFRP1 (0.41) ITGB3ITGAVITGA2B
SCHEMBL383668 0.86 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL382802 0.85 ITGB3 (0.37) ITGB3ITGAVITGA2BNPY2R
SCHEMBL6500480 0.84 ITGB3 (0.38) ITGB3ITGAVITGA2B
SCHEMBL383096 0.84 ITGB3 (0.47) ITGB3ITGAVITGA2BNPY2RP2RY12
SCHEMBL6498464 0.84 DRD2 (0.39) 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 1 patent. 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 disclosed