SCHEMBL20113080

SCHEMBL20113080

O=C(NCc1ccc(F)c(F)c1)[C@H]1c2ccccc2CC(=O)N1CC1CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.74
MCHR1 Q99705 1/20 0.42
P2RX7 Q99572 3/20 0.41
SCN9A Q15858 5/20 0.41
SCN5A Q14524 3/20 0.41
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MMP13 P45452 2/20 0.39
GAA P10253 1/20 0.38
KCNH2 Q12809 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 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
SCHEMBL20113104 0.89 GRM7 (0.74) GRM7SCN9ASCN5AALDH1A1KCNH2
SCHEMBL20113106 0.89 GRM7 (0.74) GRM7SCN9ASCN5AALDH1A1KCNH2
SCHEMBL20113103 0.86 GRM7 (0.65) GRM7P2RX7MEN1KMT2A
SCHEMBL20112956 0.86 GRM7 (0.62) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20112955 0.85 GRM7 (1.00) GRM7P2RX7ALDH1A1KDM4EMAPT
SCHEMBL20113020 0.85 GRM7 (0.68) GRM7SCN9ASCN5AALDH1A1GAA
SCHEMBL20113019 0.85 GRM7 (0.68) GRM7SCN9ASCN5AALDH1A1KCNH2
SCHEMBL20113083 0.83 GRM7 (0.82) GRM7P2RX7MEN1KMT2ARAB9A
SCHEMBL20113084 0.83 GRM7 (0.66) GRM7SCN9ASCN5AALDH1A1KCNH2
SCHEMBL20112958 0.82 GRM7 (0.59) GRM7SCN9ASCN5AKCNH2MAPT

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