SCHEMBL20113028

SCHEMBL20113028

O=C(NCc1ccc(C(F)(F)F)cc1)C1c2ccccc2CC(=O)N1Cc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.64
SCN5A Q14524 13/20 0.64
KCNH2 Q12809 12/20 0.64
KCNQ2 O43526 1/20 0.51
KCNA5 P22460 1/20 0.51
SCN2A Q99250 1/20 0.51
P2RX7 Q99572 3/20 0.49
GRM7 Q14831 1/20 0.47

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
SCHEMBL20113177 0.90 GRM7 (0.52) SCN9ASCN5AKCNH2KCNQ2KCNA5
SCHEMBL13568403 0.78 SCN9A (1.00) SCN9ASCN5AKCNH2KCNQ2KCNA5
SCHEMBL19953612 0.78 L3MBTL1 (0.46) GRM7
SCHEMBL19953623 0.78 L3MBTL1 (0.46) GRM7
SCHEMBL19960682 0.78 GRM7 (0.43) SCN9ASCN5AKCNH2GRM7
SCHEMBL19960807 0.75 LMNA (0.41) SCN9ASCN5AKCNH2P2RX7GRM7
SCHEMBL3891943 0.73 SCN9A (0.80) SCN9ASCN5AKCNH2KCNQ2KCNA5
SCHEMBL20113104 0.72 GRM7 (0.74) SCN9ASCN5AKCNH2GRM7
SCHEMBL20113106 0.72 GRM7 (0.74) SCN9ASCN5AKCNH2GRM7
SCHEMBL20113178 0.71 GRM7 (0.54) SCN9ASCN5AKCNH2GRM7

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-2018079862-A1 MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 WO disclosed