SCHEMBL20113030

SCHEMBL20113030

O=C(NCc1ccccc1OC(F)(F)F)C1c2ccccc2CC(=O)N1CC1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.65
SCN9A Q15858 6/20 0.50
SCN5A Q14524 4/20 0.50
KCNH2 Q12809 2/20 0.50
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 9/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2J2 P51589 3/20 0.40
ROCK2 O75116 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38

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
SCHEMBL20113084 0.82 GRM7 (0.66) GRM7SCN9ASCN5AKCNH2MEN1
SCHEMBL20112965 0.80 GRM7 (0.57) GRM7SCN9ASCN5AKCNH2MEN1
SCHEMBL20112960 0.79 GRM7 (0.64) GRM7SCN9ASCN5AKCNH2
SCHEMBL20112955 0.79 GRM7 (1.00) GRM7
SCHEMBL20112966 0.78 GRM7 (0.55) GRM7SCN9ASCN5AKCNH2EPHX2
SCHEMBL20112967 0.77 GRM7 (0.58) GRM7SCN9ASCN5AKCNH2MEN1
SCHEMBL20113021 0.77 GRM7 (0.78) GRM7MEN1KMT2AEPHX2
SCHEMBL20112961 0.77 GRM7 (0.58) GRM7SCN9ASCN5AKCNH2
SCHEMBL20112956 0.76 GRM7 (0.62) GRM7SCN9ASCN5AKCNH2
SCHEMBL20113083 0.76 GRM7 (0.82) GRM7MEN1KMT2AEPHX2

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