SCHEMBL7434613

SCHEMBL7434613

N=C(N)c1cccc(CCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.59
ITGA2B P08514 6/20 0.59
CTSG P08311 1/20 0.48
CMA1 P23946 1/20 0.48
F10 P00742 4/20 0.47
ACE P12821 2/20 0.46
PTPN1 P18031 1/20 0.45
PRSS1 P07477 4/20 0.44
TMPRSS15 P98073 1/20 0.44
FAAH O00519 2/20 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
SCHEMBL7438806 0.91 ITGB3 (0.71) ITGB3ITGA2BCTSGCMA1PTPN1
SCHEMBL9103107 0.90 ITGB3 (0.70) ITGB3ITGA2BCTSGCMA1PTPN1
Hydrochloric Acid SCHEMBL9435247 0.90 ITGB3 (0.70) ITGB3ITGA2BCTSGCMA1PTPN1
Acetic Acid SCHEMBL9097876 0.89 ITGB3 (0.68) ITGB3ITGA2BCTSGCMA1PTPN1
SCHEMBL9098464 0.88 ITGB3 (0.67) ITGB3ITGA2BCTSGCMA1PTPN1
SCHEMBL9101456 0.84 PRSS1 (0.52) ITGB3ITGA2BPTPN1PRSS1TMPRSS15
SCHEMBL9100379 0.84 FAAH (0.46) ITGB3ITGA2BF10ACEPTPN1
SCHEMBL7303040 0.83 ITGB3 (0.55) ITGB3ITGA2BF10PTPN1
SCHEMBL7304352 0.83 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7321414 0.81 EPHX2 (0.54) ITGB3ITGA2BPTPN1

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 9 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
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