SCHEMBL7336397

SCHEMBL7336397

N=C(N)c1ccc(C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)NCCc2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.53
ITGA2B P08514 10/20 0.53
PRSS1 P07477 6/20 0.50
TMPRSS15 P98073 6/20 0.50
MDM4 O15151 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA5 P08648 1/20 0.46
MDM2 Q00987 1/20 0.46
ST14 Q9Y5Y6 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
SCHEMBL7326757 0.89 ITGB3 (0.51) ITGB3ITGA2BPRSS1TMPRSS15MDM4
SCHEMBL7303302 0.84 ITGB3 (0.66) ITGB3ITGA2BPRSS1TMPRSS15ST14
SCHEMBL9272405 0.84 ITGB3 (0.66) ITGB3ITGA2BPRSS1TMPRSS15ST14
Hydrochloric Acid SCHEMBL8885572 0.81 ITGB3 (0.56) ITGB3ITGA2BPRSS1TMPRSS15MDM4
SCHEMBL7436661 0.80 ITGB3 (0.74) ITGB3ITGA2BPRSS1TMPRSS15ST14
SCHEMBL9224285 0.80 CASP1 (0.47) ITGB3ITGA2B
SCHEMBL7431042 0.78 ITGB3 (0.70) ITGB3ITGA2BPRSS1TMPRSS15ST14
Hydrochloric Acid SCHEMBL8886078 0.76 ITGB3 (0.59) ITGB3ITGA2BPRSS1TMPRSS15ST14
SCHEMBL7332549 0.76 FOLH1 (0.49) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7333071 0.76 MEN1 (0.43) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP claimed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP claimed
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP disclosed
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP disclosed