SCHEMBL9954928

SCHEMBL9954928

N#Cc1ccc(Nc2ncc3c(n2)CCCC3=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.75
MAOB P27338 6/20 0.75
MAOA P21397 3/20 0.71
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
CA9 Q16790 1/20 0.65
G6PD P11413 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
TSHR P16473 1/20 0.60
SYK P43405 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL23656955 0.97 GRM5 (0.71) GRM5MAOBMAOACA1CA2
SCHEMBL9954240 0.86 GRM5 (1.00) GRM5MAOBMAOACA1CA2
SCHEMBL23656936 0.84 GRM5 (0.74) GRM5MAOBMAOACA1CA2
SCHEMBL26723790 0.83 GRM5 (0.96) GRM5MAOBMAOACA1CA2
SCHEMBL9955104 0.83 GRM5 (1.00) GRM5MAOBMAOACA1CA2
SCHEMBL23657057 0.83 GRM5 (0.65) GRM5MAOBMAOACA1CA2
SCHEMBL26723821 0.83 GRM5 (0.76) GRM5MAOBMAOACA1CA2
SCHEMBL23656967 0.82 GRM5 (0.77) GRM5MAOBMAOACA1CA2
SCHEMBL23656974 0.81 GRM5 (0.72) GRM5MAOBMAOACA1CA2
SCHEMBL23656973 0.81 GRM5 (0.95) GRM5MAOBMAOACA1CA2

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-2012085166-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 WO disclosed