SCHEMBL9099710

SCHEMBL9099710

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.61
ITGA2B P08514 7/20 0.61
PRSS1 P07477 7/20 0.48
TMPRSS15 P98073 7/20 0.48
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
F7 P08709 1/20 0.42
KDM4A O75164 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
PHF8 Q9UPP1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
FOLH1 Q04609 1/20 0.41
PLA2G2A P14555 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
SCHEMBL9101931 0.88 ITGB3 (0.64) ITGB3ITGA2BPRSS1TMPRSS15CTSG
SCHEMBL9099960 0.87 ITGB3 (0.62) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9101326 0.84 ITGB3 (0.56) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9100195 0.83 ITGB3 (0.66) ITGB3ITGA2BPRSS1TMPRSS15CTSG
SCHEMBL9710341 0.81 ITGB3 (0.67) ITGB3ITGA2BPRSS1TMPRSS15CTSG
SCHEMBL9100789 0.81 ITGB3 (0.63) ITGB3ITGA2BPRSS1TMPRSS15CTSG
SCHEMBL7438806 0.81 ITGB3 (0.71) ITGB3ITGA2BPRSS1TMPRSS15CTSG
Hydrochloric Acid SCHEMBL9435247 0.80 ITGB3 (0.70) ITGB3ITGA2BPRSS1TMPRSS15CTSG
SCHEMBL9103107 0.80 ITGB3 (0.70) ITGB3ITGA2BPRSS1TMPRSS15CTSG
Acetic Acid SCHEMBL9097876 0.79 ITGB3 (0.68) 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
US-5481021-A Phenyl amidines derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1996-01-02 US disclosed