SCHEMBL7344436

SCHEMBL7344436

N=C(N)c1ccc(NC(=O)C2CC2C(=O)NC[C@@H](C(=O)O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F7 P08709 7/20 0.47
F2 P00734 8/20 0.46
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
CPN1 P15169 1/20 0.44
CPB2 Q96IY4 1/20 0.44
TPSAB1 Q15661 1/20 0.43
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TMPRSS6 Q8IU80 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
F10 P00742 1/20 0.40
HPN P05981 2/20 0.40
PLAU P00749 1/20 0.40
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL7352341 1.00 F7 (0.47) F7F2ITGB3ITGA2BCPN1
SCHEMBL8504027 0.86 F2 (0.43) F7F2ITGB3ITGA2BTPSAB1
SCHEMBL7417189 0.86 F2 (0.43) F7F2ITGB3ITGA2BTPSAB1
SCHEMBL9263614 0.81 KLK5 (0.40) F7F2ITGB3ITGA2BCPN1
SCHEMBL9264866 0.79 F2 (0.42) F7F2ITGB3ITGA2BTPSAB1
SCHEMBL7344449 0.78 ITGB3 (0.66) F7F2ITGB3ITGA2B
SCHEMBL7352353 0.78 ITGB3 (0.66) F7F2ITGB3ITGA2B
SCHEMBL9264977 0.78 F2 (0.41) F7F2ITGB3ITGA2BCPN1
SCHEMBL6972937 0.77 PARP1 (0.58) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL9440496 0.76 ITGB3 (0.50) F7F2ITGB3ITGA2BF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5344957-A Amidinoiphenyl-substituted G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
WO-1993007867-A1 SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed