SCHEMBL7436661

SCHEMBL7436661

COc1ccc(CCNC(=O)[C@H](CC(=O)O)NC(=O)CCCCc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.74
ITGA2B P08514 10/20 0.74
PRSS1 P07477 1/20 0.49
TMPRSS15 P98073 1/20 0.49
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
ST14 Q9Y5Y6 1/20 0.46

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
SCHEMBL7431042 0.89 ITGB3 (0.70) ITGB3ITGA2BPRSS1TMPRSS15ST14
Hydrochloric Acid SCHEMBL8886078 0.87 ITGB3 (0.59) ITGB3ITGA2BPRSS1TMPRSS15ST14
SCHEMBL9101824 0.85 ITGB3 (0.59) ITGB3ITGA2BPRSS1TMPRSS15
Hydrochloric Acid SCHEMBL8885572 0.84 ITGB3 (0.56) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7431004 0.84 ITGB3 (0.70) ITGB3ITGA2BPRSS1TMPRSS15ST14
SCHEMBL7386244 0.83 ITGB3 (0.79) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7425539 0.82 ITGB3 (0.62) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7425557 0.82 ITGB3 (0.62) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9101326 0.81 ITGB3 (0.56) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL8887845 0.80 ITGB3 (0.54) ITGB3ITGA2BPRSS1TMPRSS15ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502536-B1 Phenyl amidines derivatives useful as platelet aggregation inhibitors SEARLE & CO (US) 1996-10-09 EP claimed
US-5481021-A Phenyl amidines derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1996-01-02 US claimed
EP-0574545-B1 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1994-11-30 EP claimed
EP-0574545-A1 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1993-12-22 EP claimed
WO-1992015607-A2 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-09-17 WO claimed
EP-0502536-A1 Phenyl amidines derivatives useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-09-09 EP claimed
US-5481021-A Phenyl amidines derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1996-01-02 US disclosed
EP-0574545-B1 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1994-11-30 EP disclosed
EP-0574545-A1 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1993-12-22 EP disclosed
WO-1992015607-A2 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-09-17 WO disclosed