SCHEMBL7348253

SCHEMBL7348253

N=C(N)c1ccc(CCCCC(=O)NC(CC(=O)O)CS(=O)(=O)c2ccccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.66
ITGA2B P08514 17/20 0.66
PLA2G2A P14555 2/20 0.44
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
SCHEMBL7354037 0.88 ITGB3 (0.51) ITGB3ITGA2BPLA2G2APRSS1
SCHEMBL7352921 0.88 ITGB3 (0.51) ITGB3ITGA2BPRSS1
SCHEMBL7348953 0.87 ITGB3 (0.73) ITGB3ITGA2BPLA2G2APRSS1TMPRSS15
SCHEMBL7348280 0.85 ITGB3 (0.46) ITGB3ITGA2BPLA2G2A
SCHEMBL7381126 0.81 ITGB3 (0.74) ITGB3ITGA2BPLA2G2APRSS1TMPRSS15
SCHEMBL7351137 0.81 ITGB3 (0.63) ITGB3ITGA2BPLA2G2A
SCHEMBL7353684 0.81 ITGB3 (0.63) ITGB3ITGA2BPLA2G2A
SCHEMBL7381799 0.80 ITGB3 (1.00) ITGB3ITGA2BPLA2G2A
SCHEMBL7381387 0.80 ITGB3 (0.84) ITGB3ITGA2BPLA2G2A
SCHEMBL7387468 0.80 ITGB3 (0.84) 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