SCHEMBL9101456

SCHEMBL9101456

N=C(N)c1ccc2cc(CCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 13/20 0.52
TMPRSS15 P98073 13/20 0.52
PLAU P00749 1/20 0.51
ITGB3 P05106 5/20 0.51
ITGA2B P08514 5/20 0.51
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
CDC25B P30305 1/20 0.47

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
SCHEMBL9098464 0.85 ITGB3 (0.67) PRSS1TMPRSS15ITGB3ITGA2BPTPN1
SCHEMBL7438806 0.85 ITGB3 (0.71) PRSS1TMPRSS15ITGB3ITGA2BPTPN1
SCHEMBL9098784 0.84 ITGB3 (0.52) PRSS1TMPRSS15ITGB3ITGA2BPTPN1
SCHEMBL9103107 0.84 ITGB3 (0.70) PRSS1TMPRSS15ITGB3ITGA2BPTPN1
Hydrochloric Acid SCHEMBL9435247 0.84 ITGB3 (0.70) PRSS1TMPRSS15ITGB3ITGA2BPTPN1
SCHEMBL7434613 0.84 ITGB3 (0.59) PRSS1TMPRSS15ITGB3ITGA2BPTPN1
SCHEMBL9101364 0.83 ITGB3 (0.52) PRSS1TMPRSS15ITGB3ITGA2B
SCHEMBL9101662 0.83 ITGB3 (0.53) PRSS1TMPRSS15ITGB3ITGA2BPTPN2
Acetic Acid SCHEMBL9097876 0.82 ITGB3 (0.68) PRSS1TMPRSS15ITGB3ITGA2BPTPN1
SCHEMBL7321771 0.82 ITGB3 (0.71) ITGB3ITGA2B

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 8 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
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