SCHEMBL9101824

SCHEMBL9101824

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.59
ITGA2B P08514 10/20 0.59
PRSS1 P07477 7/20 0.48
TMPRSS15 P98073 7/20 0.48
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9100195 0.90 ITGB3 (0.66) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9101326 0.89 ITGB3 (0.56) ITGB3ITGA2BPRSS1TMPRSS15ALDH1A1
SCHEMBL7436661 0.85 ITGB3 (0.74) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9098764 0.85 ITGB3 (0.66) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9101931 0.83 ITGB3 (0.64) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7386244 0.81 ITGB3 (0.79) ITGB3ITGA2BPRSS1TMPRSS15ALDH1A1
SCHEMBL7388720 0.79 ITGB3 (0.73) ITGB3ITGA2BPRSS1TMPRSS15ALDH1A1
SCHEMBL7385494 0.78 ITGB3 (0.63) ITGB3ITGA2BPRSS1TMPRSS15ALDH1A1
SCHEMBL7384448 0.78 ITGB3 (0.62) ITGB3ITGA2BPRSS1TMPRSS15ALDH1A1
SCHEMBL7388803 0.78 ITGB3 (0.62) ITGB3ITGA2BPRSS1TMPRSS15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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