SCHEMBL20112965

SCHEMBL20112965

O=C(NCc1cccc(C(F)(F)F)c1)C1c2ccccc2CC(=O)N1CC1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.57
P2RX7 Q99572 1/20 0.49
SCN9A Q15858 3/20 0.46
SCN5A Q14524 2/20 0.46
KCNH2 Q12809 1/20 0.46
GLS O94925 2/20 0.46
HRH3 Q9Y5N1 1/20 0.43
KMT2A Q03164 3/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
PLA2G1B P04054 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL20112961 0.87 GRM7 (0.58) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20112966 0.86 GRM7 (0.55) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20112967 0.84 GRM7 (0.58) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20113084 0.84 GRM7 (0.66) GRM7SCN9ASCN5AKCNH2KMT2A
SCHEMBL20112956 0.83 GRM7 (0.62) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20112960 0.82 GRM7 (0.64) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20113103 0.80 GRM7 (0.65) GRM7P2RX7KMT2AMEN1
SCHEMBL20113030 0.80 GRM7 (0.65) GRM7SCN9ASCN5AKCNH2KMT2A
SCHEMBL20113080 0.78 GRM7 (0.74) GRM7P2RX7SCN9ASCN5AKCNH2
SCHEMBL20113106 0.77 GRM7 (0.74) GRM7SCN9ASCN5AKCNH2KMT2A

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