SCHEMBL20113084

SCHEMBL20113084

O=C(NCc1ccc(F)cc1)C1c2ccccc2CC(=O)N1CC1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.66
SCN9A Q15858 5/20 0.50
SCN5A Q14524 3/20 0.50
KCNH2 Q12809 2/20 0.50
PRMT5 O14744 5/20 0.42
WDR77 Q9BQA1 5/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL20113106 0.93 GRM7 (0.74) GRM7SCN9ASCN5AKCNH2PRMT5
SCHEMBL20113104 0.93 GRM7 (0.74) GRM7SCN9ASCN5AKCNH2PRMT5
SCHEMBL20112956 0.88 GRM7 (0.62) GRM7SCN9ASCN5AKCNH2
SCHEMBL20112967 0.87 GRM7 (0.58) GRM7SCN9ASCN5AKCNH2ALDH1A1
SCHEMBL20112961 0.84 GRM7 (0.58) GRM7SCN9ASCN5AKCNH2
SCHEMBL20112965 0.84 GRM7 (0.57) GRM7SCN9ASCN5AKCNH2ALDH1A1
SCHEMBL20112966 0.84 GRM7 (0.55) GRM7SCN9ASCN5AKCNH2
SCHEMBL20113020 0.83 GRM7 (0.68) GRM7SCN9ASCN5AALDH1A1KMT2A
SCHEMBL20113019 0.83 GRM7 (0.68) GRM7SCN9ASCN5AKCNH2ALDH1A1
SCHEMBL20113080 0.83 GRM7 (0.74) GRM7SCN9ASCN5AKCNH2ALDH1A1

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