SCHEMBL7355665

SCHEMBL7355665

N=C(N)c1ccc(CCCCC(=O)NC(CSc2ccc(F)cc2)CC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.64
ITGA2B P08514 15/20 0.64
PLA2G2A P14555 3/20 0.64
MME P08473 1/20 0.43
PLA2G10 O15496 1/20 0.41
PRSS1 P07477 1/20 0.39
TMPRSS15 P98073 1/20 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
SCHEMBL7350222 0.91 ITGB3 (0.74) ITGB3ITGA2BPLA2G2APLA2G10PRSS1
SCHEMBL7355679 0.83 PLA2G2A (0.62) ITGB3ITGA2BPLA2G2AMMEPLA2G10
SCHEMBL7353684 0.82 ITGB3 (0.63) ITGB3ITGA2BPLA2G2AMME
SCHEMBL7388737 0.81 ITGB3 (0.82) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7389600 0.80 ITGB3 (0.76) ITGB3ITGA2BPLA2G2A
SCHEMBL7387468 0.79 ITGB3 (0.84) ITGB3ITGA2BPLA2G2A
SCHEMBL7378671 0.79 ITGB3 (0.76) ITGB3ITGA2BPLA2G2APRSS1TMPRSS15
SCHEMBL7381387 0.79 ITGB3 (0.84) ITGB3ITGA2BPLA2G2A
SCHEMBL7381799 0.79 ITGB3 (1.00) ITGB3ITGA2BPLA2G2AMME
SCHEMBL7350092 0.78 ITGB3 (0.69) ITGB3ITGA2BPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543425-A ANTIAGGLOMERANTS G. D. SEARLE & CO. (US) 1996-08-06 US claimed
US-5409939-A Phenyl amidine thio derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-04-25 US claimed
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO claimed
US-5543425-A ANTIAGGLOMERANTS G. D. SEARLE & CO. (US) 1996-08-06 US disclosed
US-5409939-A Phenyl amidine thio derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-04-25 US disclosed
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO disclosed