SCHEMBL20113104

SCHEMBL20113104

O=C(NCc1ccc(F)cc1)[C@H]1c2ccccc2CC(=O)N1CC1CC1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.74
ALDH1A1 P00352 2/20 0.45
SCN9A Q15858 3/20 0.44
SCN5A Q14524 2/20 0.44
TSHR P16473 1/20 0.44
PRMT5 O14744 5/20 0.43
WDR77 Q9BQA1 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL20113106 1.00 GRM7 (0.74) GRM7ALDH1A1SCN9ASCN5ATSHR
SCHEMBL20113084 0.93 GRM7 (0.66) GRM7ALDH1A1SCN9ASCN5ATSHR
SCHEMBL20113019 0.90 GRM7 (0.68) GRM7ALDH1A1SCN9ASCN5AKMT2A
SCHEMBL20113020 0.90 GRM7 (0.68) GRM7ALDH1A1SCN9ASCN5AKMT2A
SCHEMBL20113080 0.89 GRM7 (0.74) GRM7ALDH1A1SCN9ASCN5AMEN1
SCHEMBL20113083 0.86 GRM7 (0.82) GRM7MEN1KMT2ANPC1
SCHEMBL20112955 0.85 GRM7 (1.00) GRM7ALDH1A1
SCHEMBL20113178 0.84 GRM7 (0.54) GRM7ALDH1A1SCN9ASCN5ATSHR
SCHEMBL20113103 0.83 GRM7 (0.65) GRM7MEN1KMT2A
SCHEMBL20113177 0.82 GRM7 (0.52) GRM7SCN9ASCN5APRMT5WDR77

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