SCHEMBL9435255

SCHEMBL9435255

N=C(N)c1ccc(CCCCC(=O)NC(CC(N)=O)C(=O)OC(=O)CCCCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.61
ITGA2B P08514 6/20 0.61
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
PRSS1 P07477 4/20 0.44
TMPRSS15 P98073 1/20 0.44
F2 P00734 5/20 0.43
F10 P00742 6/20 0.42
KLK8 O60259 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
KLK1 P06870 1/20 0.41
KLK2 P20151 1/20 0.41
KLK4 Q9Y5K2 1/20 0.41
HDAC2 Q92769 1/20 0.40
HDAC1 Q13547 1/20 0.40
ALOX5 P09917 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
SCHEMBL9710341 0.84 ITGB3 (0.67) ITGB3ITGA2BCTSGCMA1PRSS1
SCHEMBL9100789 0.78 ITGB3 (0.63) ITGB3ITGA2BCTSGCMA1PRSS1
SCHEMBL9435428 0.78 ITGB3 (0.60) ITGB3ITGA2BCTSGCMA1HDAC1
SCHEMBL7431042 0.77 ITGB3 (0.70) ITGB3ITGA2BCTSGCMA1PRSS1
SCHEMBL9710588 0.77 ITGB3 (0.64) ITGB3ITGA2BPRSS1F2F10
SCHEMBL7387875 0.77 ITGB3 (0.76) ITGB3ITGA2BCTSGCMA1PRSS1
SCHEMBL7390380 0.77 ITGB3 (0.64) ITGB3ITGA2BCTSGPRSS1F2
SCHEMBL7721971 0.76 ITGB3 (0.58) ITGB3ITGA2BCTSGCMA1PRSS1
SCHEMBL7381387 0.76 ITGB3 (0.84) ITGB3ITGA2BF10
SCHEMBL7381799 0.76 ITGB3 (1.00) ITGB3ITGA2BCTSGCMA1

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
EP-0574545-B1 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1994-11-30 EP disclosed