SCHEMBL1384581

SCHEMBL1384581

CNC(=O)[C@H](Cc1ccc(OC(C)C)cc1)NC(=O)C1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
KCNQ1 P51787 1/20 0.52
HCRTR1 O43613 3/20 0.50
HCRTR2 O43614 3/20 0.50
ITGB1 P05556 4/20 0.46
ITGA4 P13612 2/20 0.46
ITGA5 P08648 2/20 0.45
ITGB7 P26010 1/20 0.45
BDKRB1 P46663 8/20 0.45
MCL1 Q07820 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL630359 1.00 POLB (0.52) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL631047 0.92 ITGB1 (0.53) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL5171082 0.92 ITGB1 (0.53) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL631046 0.92 ITGB1 (0.53) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL1383354 0.90 KCNQ1 (0.48) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL629996 0.90 KCNQ1 (0.48) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL631034 0.89 KCNQ1 (0.44) POLBKCNQ1HCRTR1HCRTR2BDKRB1
SCHEMBL13206951 0.88 KCNQ1 (0.49) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL629838 0.85 KCNQ1 (0.62) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL5173103 0.85 KCNQ1 (0.62) POLBKCNQ1HCRTR1HCRTR2ITGB1

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
JP-4812758-B2 2011-11-09 JP claimed