SCHEMBL1383175

SCHEMBL1383175

COc1ccc(C[C@H](NC(=O)C2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)NCCN2CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 7/20 0.53
HCRTR1 O43613 3/20 0.50
HCRTR2 O43614 3/20 0.50
POLB P06746 1/20 0.45
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
ITGB1 P05556 2/20 0.42
ITGA4 P13612 2/20 0.42
ITGB7 P26010 1/20 0.42
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP13 P45452 1/20 0.41
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
BDKRB1 P46663 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL630006 1.00 KCNQ1 (0.53) KCNQ1HCRTR1HCRTR2POLBCTSS
SCHEMBL629908 0.90 KCNQ1 (0.46) KCNQ1HCRTR1HCRTR2POLBCTSS
SCHEMBL629838 0.85 KCNQ1 (0.62) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL5173103 0.85 KCNQ1 (0.62) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL629837 0.85 KCNQ1 (0.62) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL630219 0.84 KCNQ1 (0.58) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL1380661 0.82 KCNQ1 (0.56) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL630034 0.82 KCNQ1 (0.56) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL630184 0.81 KCNQ1 (0.58) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL630183 0.81 KCNQ1 (0.58) KCNQ1HCRTR1HCRTR2POLBITGB1

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