SCHEMBL9954170

SCHEMBL9954170

CC1(C(=O)N2CCc3nc(Nc4cccc(Cl)c4)ncc3C2)COC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
GRM5 P41594 2/20 0.53
KDR P35968 9/20 0.51
PDGFRB P09619 12/20 0.49
MAOA P21397 1/20 0.45
MAPT P10636 1/20 0.45
SIRT5 Q9NXA8 1/20 0.44
FYN P06241 1/20 0.43

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
SCHEMBL9955716 0.92 GRM5 (0.55) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9954286 0.87 KDR (0.49) MAOBGRM5KDRPDGFRBMAPT
SCHEMBL9954695 0.85 PDGFRB (0.66) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9954102 0.84 MAOB (0.61) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9955998 0.82 MAOB (0.57) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9953995 0.82 MAOB (0.57) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9955388 0.81 GRM5 (0.58) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9955054 0.81 MAOB (0.61) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9955875 0.81 MAOB (0.61) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9955865 0.81 PDGFRB (0.55) MAOBGRM5KDRPDGFRBMAOA

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