SCHEMBL7325178

SCHEMBL7325178

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.53
ITGA2B P08514 4/20 0.53
F7 P08709 1/20 0.47
FPR2 P25090 6/20 0.44
PRSS1 P07477 7/20 0.44
TMPRSS15 P98073 7/20 0.44
CTSB P07858 1/20 0.43
MME P08473 1/20 0.43

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 0.86 ITGB3 (0.60) ITGB3ITGA2BF7PRSS1TMPRSS15
SCHEMBL7321771 0.85 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7325186 0.83 FPR2 (0.48) FPR2CTSBMME
SCHEMBL7304352 0.83 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7324926 0.83 NOS2 (0.51) FPR2MME
SCHEMBL7331831 0.81 ITGB3 (0.49) ITGB3ITGA2BF7
Trifluoroacetic Acid SCHEMBL7308865 0.80 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL7336254 0.79 PRSS1 (0.50) PRSS1TMPRSS15
SCHEMBL7327768 0.78 ITGB3 (0.48) ITGB3ITGA2BF7PRSS1TMPRSS15
SCHEMBL13744829 0.77 ITGB3 (0.65) ITGB3ITGA2BF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5550159-A Peptide mimics useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1996-08-27 US disclosed
US-5453440-A Amidine functional group on benzene ring, anticoagulants G. D. SEARLE & CO. (US) 1995-09-26 US disclosed
WO-1993018058-A1 PEPTIDES MIMICS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-09-16 WO disclosed