SCHEMBL9055325

SCHEMBL9055325

CC(=O)OCC1CC(C)CCN1C(=O)[C@H](CCCNc1ncc[nH]1)NS(=O)(=O)c1ccc2ncc(C)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.42
ITGB3 P05106 4/20 0.38
ITGAV P06756 4/20 0.38
ITGA2B P08514 4/20 0.38
F10 P00742 1/20 0.35

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
SCHEMBL9054492 0.91 F2 (0.43) F2ITGB3ITGAVITGA2B
SCHEMBL9055315 0.87 F2 (0.41) F2ITGB3ITGAVITGA2BF10
SCHEMBL9054950 0.85 F2 (0.44) F2ITGB3ITGAVITGA2B
SCHEMBL9055899 0.78 F2 (0.46) F2F10
SCHEMBL9054483 0.78 F2 (0.44) F2ITGB3ITGAVITGA2BF10
SCHEMBL9054920 0.78 F2 (0.45) F2ITGB3ITGAVITGA2B
SCHEMBL9062889 0.74 F2 (0.34) F2ITGB3ITGAVITGA2BF10
SCHEMBL9055310 0.74 F2 (0.40) F2ITGB3ITGAVITGA2BF10
SCHEMBL9055904 0.74 F2 (0.40) F2ITGB3ITGAVITGA2BF10
SCHEMBL9055835 0.74 CCR10 (0.47) F2ITGB3ITGAVITGA2B

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-1996002517-A1 SUBSTITUTED ARYLSULFONAMIDES, THEIR PREPARATION AND USE AS THROMBIN-INHIBITING MEDICAMENTS DR. KARL THOMAE GMBH (DE) 1996-02-01 WO disclosed