SCHEMBL8115237

SCHEMBL8115237

CCC(CNC(=O)CC1CCCN(c2ccc(C=NN)cc2)C1=O)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.31
ITGB3 P05106 3/20 0.31
ITGA2B P08514 3/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL8117404 0.94 ITGB3 (0.33) ITGB3ITGA2BHTT
SCHEMBL7424245 0.85 ITGB3 (0.36) HSD17B10ITGB3ITGA2BHTT
SCHEMBL7424236 0.85 ITGB3 (0.36) HSD17B10ITGB3ITGA2BHTT
SCHEMBL8115235 0.83 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7416753 0.83 ITGB3 (0.34) ITGB3ITGA2BHTT
SCHEMBL8125482 0.83 ITGB3 (0.33) HSD17B10ITGB3ITGA2BHTT
SCHEMBL8118294 0.83 ITGB3 (0.33) HSD17B10ITGB3ITGA2BHTT
SCHEMBL7418959 0.81 ITGB3 (0.47) HSD17B10ITGB3ITGA2BHTT
SCHEMBL8107039 0.81 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL8115483 0.81 ITGB3 (0.32) ITGB3ITGA2B

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-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP claimed