SCHEMBL382580

SCHEMBL382580

N[C@@H](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F)C(=O)OS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.41
ITGAV P06756 9/20 0.41
ITGA2B P08514 9/20 0.41
AOC3 Q16853 1/20 0.32
CDK1 P06493 3/20 0.31
CDK4 P11802 3/20 0.31
CCND1 P24385 3/20 0.31
CDK2 P24941 3/20 0.31
SYK P43405 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
EPHX2 P34913 1/20 0.30
GPR6 P46095 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL383781 0.88 ITGB3 (0.36) ITGB3ITGAVITGA2BCDK1CDK4
SCHEMBL382581 0.85 ITGB3 (0.37) ITGB3ITGAVITGA2BAOC3SYK
SCHEMBL382680 0.85 ITGB3 (0.51) ITGB3ITGAVITGA2BTP53TSHR
SCHEMBL381824 0.84 ITGB3 (0.38) ITGB3ITGAVITGA2BEPHX2
SCHEMBL381745 0.83 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL381748 0.80 ITGB3 (0.38) ITGB3ITGAVITGA2BEPHX2
SCHEMBL381746 0.79 ITGB3 (0.41) ITGB3ITGAVITGA2BLMNA
SCHEMBL383595 0.79 ITGB3 (0.49) ITGB3ITGAVITGA2BTP53TSHR
SCHEMBL383782 0.78 ITGB3 (0.36) ITGB3ITGAVITGA2BGPR6
SCHEMBL382342 0.78 ITGB3 (0.45) ITGB3ITGAVITGA2BTP53TSHR

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 claimed