SCHEMBL7327768

SCHEMBL7327768

N=C(N)c1ccc(NC(O)CCC(O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.48
ITGA2B P08514 5/20 0.48
PRSS1 P07477 11/20 0.43
TMPRSS15 P98073 11/20 0.43
MME P08473 2/20 0.43
F7 P08709 1/20 0.42

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
SCHEMBL7307665 0.79 ITGB3 (0.60) ITGB3ITGA2BPRSS1TMPRSS15F7
SCHEMBL7321771 0.78 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7325178 0.78 ITGB3 (0.53) ITGB3ITGA2BPRSS1TMPRSS15MME
SCHEMBL9101364 0.78 ITGB3 (0.52) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7304352 0.77 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7336254 0.76 PRSS1 (0.50) PRSS1TMPRSS15
SCHEMBL7432116 0.76 ITGB3 (0.43) ITGB3ITGA2BPRSS1TMPRSS15MME
SCHEMBL9098464 0.74 ITGB3 (0.67) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7331831 0.74 ITGB3 (0.49) ITGB3ITGA2BF7
SCHEMBL7438806 0.74 ITGB3 (0.71) ITGB3ITGA2BPRSS1TMPRSS15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993018058-A1 PEPTIDES MIMICS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-09-16 WO claimed