SCHEMBL9954960

SCHEMBL9954960

CCC(CC)C(=O)N1CCc2nc(Nc3cccc(Cl)c3)ncc2C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.54
GRM5 P41594 2/20 0.54
KDR P35968 6/20 0.52
PDGFRB P09619 9/20 0.50
FYN P06241 1/20 0.49
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
MAPK1 P28482 1/20 0.47
MAOA P21397 1/20 0.46
JAK2 O60674 1/20 0.46
FLT3 P36888 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
SCHEMBL9955998 0.90 MAOB (0.57) MAOBGRM5KDRPDGFRBFYN
SCHEMBL9953930 0.86 KDR (0.50) MAOBGRM5KDRPDGFRBFYN
SCHEMBL9955865 0.86 PDGFRB (0.55) MAOBGRM5KDRPDGFRBFYN
SCHEMBL9954102 0.85 MAOB (0.61) MAOBGRM5KDRPDGFRBMAPT
SCHEMBL9954695 0.85 PDGFRB (0.66) MAOBGRM5KDRPDGFRBFYN
SCHEMBL9953995 0.84 MAOB (0.57) MAOBGRM5KDRPDGFRBFYN
SCHEMBL9955606 0.83 PDGFRB (0.55) MAOBGRM5KDRPDGFRBFYN
SCHEMBL9955875 0.83 MAOB (0.61) MAOBGRM5KDRPDGFRBMAPT
SCHEMBL9955054 0.83 MAOB (0.61) MAOBGRM5KDRPDGFRBFYN
SCHEMBL9955388 0.83 GRM5 (0.58) MAOBGRM5KDRPDGFRBMAPT

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-2012085167-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 WO disclosed