SCHEMBL20112966

SCHEMBL20112966

O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)C1c2ccccc2CC(=O)N1CC1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.55
P2RX7 Q99572 8/20 0.50
SCN9A Q15858 6/20 0.46
SCN5A Q14524 3/20 0.46
KCNH2 Q12809 2/20 0.46
EPHX2 P34913 1/20 0.41
CCR4 P51679 1/20 0.40
ROCK2 O75116 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL20112967 0.91 GRM7 (0.58) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20112956 0.89 GRM7 (0.62) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20112965 0.86 GRM7 (0.57) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20112961 0.85 GRM7 (0.58) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20113084 0.84 GRM7 (0.66) GRM7SCN9ASCN5AKCNH2
SCHEMBL20112960 0.82 GRM7 (0.64) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20113103 0.78 GRM7 (0.65) GRM7P2RX7HSP90AA1HSP90AB1
SCHEMBL20113080 0.78 GRM7 (0.74) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20113030 0.78 GRM7 (0.65) GRM7SCN9ASCN5AKCNH2EPHX2
SCHEMBL20113106 0.77 GRM7 (0.74) GRM7SCN9ASCN5AKCNH2

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