SCHEMBL9710341

SCHEMBL9710341

N=C(N)c1ccc(CCCCC(=O)NC(CC(N)=O)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.67
ITGA2B P08514 6/20 0.67
PRSS1 P07477 8/20 0.53
TMPRSS15 P98073 8/20 0.53
ST14 Q9Y5Y6 1/20 0.46
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 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
SCHEMBL9100789 0.86 ITGB3 (0.63) ITGB3ITGA2BPRSS1TMPRSS15ST14
SCHEMBL9435255 0.84 ITGB3 (0.61) ITGB3ITGA2BPRSS1TMPRSS15CTSG
SCHEMBL9099710 0.81 ITGB3 (0.61) ITGB3ITGA2BPRSS1TMPRSS15CTSG
SCHEMBL9099960 0.81 ITGB3 (0.62) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7385652 0.81 ITGB3 (0.76) ITGB3ITGA2BPRSS1TMPRSS15ST14
SCHEMBL7438806 0.81 ITGB3 (0.71) ITGB3ITGA2BPRSS1TMPRSS15CTSG
SCHEMBL7379869 0.81 ITGB3 (1.00) ITGB3ITGA2BPRSS1TMPRSS15ST14
SCHEMBL7379250 0.81 ITGB3 (0.74) ITGB3ITGA2BST14
SCHEMBL7379987 0.81 ITGB3 (1.00) ITGB3ITGA2BPRSS1TMPRSS15ST14
Hydrochloric Acid SCHEMBL9435247 0.80 ITGB3 (0.70) ITGB3ITGA2BPRSS1TMPRSS15CTSG

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-1992015607-A2 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-09-17 WO disclosed