SCHEMBL7785608

SCHEMBL7785608

O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1cccc(NS(=O)(=O)c2cccc(NC(=O)NCc3cccnc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.57
ITGB3 P05106 3/20 0.54
ITGAV P06756 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL7790192 0.92 NAMPT (0.58) NAMPTITGB3ITGAV
SCHEMBL7787963 0.85 ITGB3 (0.53) ITGB3ITGAVSMN1; SMN2
SCHEMBL7787965 0.85 ITGB3 (0.53) ITGB3ITGAVSMN1; SMN2
SCHEMBL7785616 0.81 NAMPT (0.49) NAMPTITGB3ITGAVSMN1; SMN2L3MBTL1
SCHEMBL7786259 0.79 ITGB3 (0.62) ITGB3ITGAV
SCHEMBL7786264 0.79 ITGB3 (0.62) ITGB3ITGAV
SCHEMBL24106585 0.77 ITGB3 (0.50) ITGB3ITGAVSMN1; SMN2
SCHEMBL7856514 0.77 ITGB3 (0.64) NAMPTITGB3ITGAV
SCHEMBL12503657 0.75 NAMPT (0.75) NAMPT
SCHEMBL7785677 0.75 ITGB3 (0.51) NAMPTITGB3ITGAVSMN1; SMN2L3MBTL1

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