SCHEMBL9955875

SCHEMBL9955875

O=C(N1CCCC1)N1CCc2nc(Nc3cccc(Cl)c3)ncc2C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.61
GRM5 P41594 2/20 0.61
KDR P35968 7/20 0.55
PDGFRB P09619 9/20 0.53
MAOA P21397 1/20 0.52
MAPT P10636 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
SIRT5 Q9NXA8 1/20 0.45
JAK2 O60674 1/20 0.45
SRC P12931 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL9955054 0.98 MAOB (0.61) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9954102 0.89 MAOB (0.61) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9954811 0.86 GRM5 (0.59) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9954695 0.86 PDGFRB (0.66) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9955388 0.86 GRM5 (0.58) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9955998 0.85 MAOB (0.57) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9953995 0.85 MAOB (0.57) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9955257 0.85 PDGFRB (0.71) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9955865 0.83 PDGFRB (0.55) MAOBGRM5KDRPDGFRBMAOA
SCHEMBL9955716 0.83 GRM5 (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