SCHEMBL7790192

SCHEMBL7790192

O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1cccc(NS(=O)(=O)c2cccc(NC(=O)NCc3ccncc3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.58
ITGB3 P05106 5/20 0.55
ITGAV P06756 5/20 0.55
HTT P42858 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
SCHEMBL7785608 0.92 NAMPT (0.57) NAMPTITGB3ITGAV
SCHEMBL7787963 0.87 ITGB3 (0.53) ITGB3ITGAV
SCHEMBL7787965 0.87 ITGB3 (0.53) ITGB3ITGAV
SCHEMBL7788366 0.82 NAMPT (0.52) NAMPTITGB3ITGAV
SCHEMBL7788369 0.82 NAMPT (0.52) NAMPTITGB3ITGAV
SCHEMBL7788200 0.81 NAMPT (0.62) NAMPTITGB3ITGAV
SCHEMBL7788191 0.81 NAMPT (0.62) NAMPTITGB3ITGAV
SCHEMBL7786259 0.81 ITGB3 (0.62) ITGB3ITGAV
SCHEMBL7786264 0.81 ITGB3 (0.62) ITGB3ITGAV
SCHEMBL7790196 0.81 HTT (0.47) NAMPTITGB3ITGAVHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP disclosed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed