SCHEMBL383096

SCHEMBL383096

CC(C)(C)C(CC(=O)O)(NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(Cl)c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.47
ITGAV P06756 6/20 0.47
ITGA2B P08514 6/20 0.47
NPY2R P49146 7/20 0.42
P2RY12 Q9H244 2/20 0.39
EPHX2 P34913 1/20 0.37
PARP1 P09874 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
USP5 P45974 1/20 0.34
KMT2A Q03164 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
SCHEMBL382824 0.92 ITGB3 (0.48) ITGB3ITGAVITGA2BNPY2RKMT2A
SCHEMBL382189 0.90 ITGB3 (0.50) ITGB3ITGAVITGA2BNPY2RDRD2
SCHEMBL6497838 0.90 ITGB3 (0.42) ITGB3ITGAVITGA2BNPY2RKMT2A
SCHEMBL383159 0.88 ITGB3 (0.44) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6499251 0.88 SFRP1 (0.42) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383666 0.86 ITGB3 (0.46) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382800 0.85 ITGB3 (0.36) ITGB3ITGAVITGA2BNPY2RDRD2
SCHEMBL6500444 0.84 KAT6A (0.39) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383098 0.84 ITGB3 (0.50) ITGB3ITGAVITGA2BNPY2RP2RY12
SCHEMBL6498423 0.83 DRD2 (0.40) ITGB3ITGAVITGA2BDRD2DRD3

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