SCHEMBL20112960

SCHEMBL20112960

O=C(NCc1c(F)cccc1C(F)(F)F)C1c2ccccc2CC(=O)N1CC1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.64
SCN9A Q15858 4/20 0.42
SCN5A Q14524 2/20 0.42
KCNH2 Q12809 2/20 0.42
P2RX7 Q99572 15/20 0.41

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
SCHEMBL20112965 0.82 GRM7 (0.57) GRM7SCN9ASCN5AKCNH2P2RX7
SCHEMBL20112966 0.82 GRM7 (0.55) GRM7SCN9ASCN5AKCNH2P2RX7
SCHEMBL20113084 0.82 GRM7 (0.66) GRM7SCN9ASCN5AKCNH2
SCHEMBL20113026 0.82 GRM7 (0.74) GRM7P2RX7
SCHEMBL20113030 0.79 GRM7 (0.65) GRM7SCN9ASCN5AKCNH2
SCHEMBL20112956 0.79 GRM7 (0.62) GRM7SCN9ASCN5AKCNH2P2RX7
SCHEMBL20112955 0.78 GRM7 (1.00) GRM7P2RX7
SCHEMBL20112961 0.78 GRM7 (0.58) GRM7SCN9ASCN5AKCNH2P2RX7
SCHEMBL20112967 0.77 GRM7 (0.58) GRM7SCN9ASCN5AKCNH2P2RX7
SCHEMBL19960661 0.75 GRM7 (0.53) GRM7

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