SCHEMBL7348653

SCHEMBL7348653

N=C(N)c1ccc(CCCCC(=O)NC(CCS(=O)(=O)Cc2ccccc2)CC(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.72
ITGA2B P08514 16/20 0.72
PLA2G2A P14555 2/20 0.48
TMPRSS11D O60235 1/20 0.44
F10 P00742 1/20 0.41

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
SCHEMBL7387468 0.88 ITGB3 (0.84) ITGB3ITGA2BPLA2G2AF10
SCHEMBL7381387 0.88 ITGB3 (0.84) ITGB3ITGA2BPLA2G2AF10
SCHEMBL7357410 0.86 ITGB3 (0.68) ITGB3ITGA2BPLA2G2AF10
SCHEMBL7348662 0.84 ITGB3 (0.50) ITGB3ITGA2BPLA2G2A
SCHEMBL7381799 0.84 ITGB3 (1.00) ITGB3ITGA2BPLA2G2A
SCHEMBL7348953 0.82 ITGB3 (0.73) ITGB3ITGA2BPLA2G2A
SCHEMBL7349392 0.80 ITGB3 (0.71) ITGB3ITGA2BPLA2G2AF10
SCHEMBL7389600 0.80 ITGB3 (0.76) ITGB3ITGA2BPLA2G2A
SCHEMBL7350092 0.79 ITGB3 (0.69) ITGB3ITGA2BPLA2G2AF10
SCHEMBL7350222 0.79 ITGB3 (0.74) ITGB3ITGA2BPLA2G2AF10

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