SCHEMBL7425583

SCHEMBL7425583

CN(C(=O)[C@H](CC(=O)O)NC(=O)NCCCCc1ccc(C(=N)N)cc1)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.52
ITGA2B P08514 7/20 0.52
F7 P08709 1/20 0.44
F10 P00742 1/20 0.43
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.41
PRSS1 P07477 1/20 0.40
TMPRSS15 P98073 1/20 0.40
EPHX2 P34913 2/20 0.39

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
SCHEMBL9103215 0.88 ITGB3 (0.66) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7416760 0.83 ITGB3 (0.56) ITGB3ITGA2BF7F10LMNA
SCHEMBL9435243 0.78 ITGB3 (0.65) ITGB3ITGA2BF10PRSS1TMPRSS15
SCHEMBL7413784 0.78 ITGB3 (0.52) ITGB3ITGA2BKMT2A
SCHEMBL7384435 0.76 ITGB3 (0.71) ITGB3ITGA2BEPHX2
SCHEMBL7385682 0.76 ITGB3 (0.73) ITGB3ITGA2BF10PRSS1EPHX2
SCHEMBL7425539 0.73 ITGB3 (0.62) ITGB3ITGA2BF10LMNAPRSS1
SCHEMBL7425557 0.73 ITGB3 (0.62) ITGB3ITGA2BF10LMNAPRSS1
SCHEMBL8776989 0.73 F2 (0.49) ITGB3ITGA2BF7F10KMT2A
SCHEMBL7383400 0.72 ITGB3 (0.55) ITGB3ITGA2BF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659193-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-12-10 EP disclosed
US-5354738-A Amino acid derivatives G. D. SEARLE & CO. (US) 1994-10-11 US disclosed
WO-1994005694-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-03-17 WO disclosed