SCHEMBL20112958

SCHEMBL20112958

O=C(NCc1ccc2ncccc2c1)[C@@H]1c2ccccc2CC(=O)N1CC1CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.59
PRMT5 O14744 4/20 0.42
WDR77 Q9BQA1 4/20 0.42
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
NAMPT P43490 2/20 0.39
SCN9A Q15858 4/20 0.38
SCN5A Q14524 3/20 0.38
KCNH2 Q12809 3/20 0.38
KDR P35968 4/20 0.37
AIMP2 Q13155 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37
MAPT P10636 1/20 0.37
FLT1 P17948 1/20 0.37
HDAC3 O15379 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
SCHEMBL20113080 0.82 GRM7 (0.74) GRM7SCN9ASCN5AKCNH2MAPT
SCHEMBL20113019 0.80 GRM7 (0.68) GRM7SCN9ASCN5AKCNH2
SCHEMBL20113106 0.80 GRM7 (0.74) GRM7PRMT5WDR77SCN9ASCN5A
SCHEMBL20113020 0.80 GRM7 (0.68) GRM7SCN9ASCN5A
SCHEMBL20113104 0.80 GRM7 (0.74) GRM7PRMT5WDR77SCN9ASCN5A
SCHEMBL20113103 0.80 GRM7 (0.65) GRM7
SCHEMBL20112967 0.77 GRM7 (0.58) GRM7SCN9ASCN5AKCNH2
SCHEMBL20113084 0.75 GRM7 (0.66) GRM7PRMT5WDR77SCN9ASCN5A
SCHEMBL20113021 0.75 GRM7 (0.78) GRM7
SCHEMBL20112955 0.75 GRM7 (1.00) GRM7MAPT

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