SCHEMBL7347948

SCHEMBL7347948

N=C(N)c1ccc(NC(=O)CCC(=O)NCC(C(=O)O)C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.69
ITGA2B P08514 13/20 0.69
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
TMPRSS6 Q8IU80 1/20 0.51
ST14 Q9Y5Y6 1/20 0.51

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
SCHEMBL7347363 0.88 ITGB3 (0.64) ITGB3ITGA2BF2
SCHEMBL7353535 0.86 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL7351950 0.83 ITGB3 (0.63) ITGB3ITGA2BF2
SCHEMBL3290955 0.82 ITGB3 (0.81) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7423098 0.82 ITGB3 (0.68) ITGB3ITGA2B
SCHEMBL7347492 0.82 ITGB3 (1.00) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL13714942 0.81 ITGB3 (0.70) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7345129 0.81 ITGB3 (0.56) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6983890 0.81 ITGB3 (0.78) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL8502841 0.81 ITGB3 (0.68) ITGB3ITGA2BF2PRSS1PRSS2

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
EP-0542708-B1 Substituted beta-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2001-05-30 EP disclosed
US-5973003-A TREATMENT OF THROMBOSIS, STROKE, MYOCARDIAL INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS G. D. SEARLE & CO. (US) 1999-10-26 US disclosed
EP-0614360-B1 SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-03-19 EP disclosed
EP-0614360-A1 SUBSTITUTED -g(b)-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1994-09-14 EP disclosed
US-5344957-A Amidinoiphenyl-substituted G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
EP-0542708-A1 Substituted B-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-05-19 EP disclosed
WO-1993007867-A1 SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed