SCHEMBL9955540

SCHEMBL9955540

O=C(c1ccco1)N1CCc2nc(Nc3cccc(Cl)c3)ncc2C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.56
PDGFRB P09619 10/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
MAOB P27338 2/20 0.53
GRM5 P41594 2/20 0.53
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
ENPP2 Q13822 1/20 0.46
MAOA P21397 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
SCHEMBL9955257 0.85 PDGFRB (0.71) KDRPDGFRBMAOBGRM5MAOA
SCHEMBL9954102 0.85 MAOB (0.61) KDRPDGFRBMAPTMAOBGRM5
SCHEMBL9955388 0.82 GRM5 (0.58) KDRPDGFRBMAPTMAOBGRM5
SCHEMBL9955054 0.82 MAOB (0.61) KDRPDGFRBMAPTMAOBGRM5
SCHEMBL9955875 0.82 MAOB (0.61) KDRPDGFRBMAPTMAOBGRM5
SCHEMBL9954695 0.82 PDGFRB (0.66) KDRPDGFRBMAPTMAOBGRM5
SCHEMBL9955998 0.81 MAOB (0.57) KDRPDGFRBMAPTMAOBGRM5
SCHEMBL9953995 0.81 MAOB (0.57) KDRPDGFRBMAPTMAOBGRM5
SCHEMBL9954280 0.81 KDR (0.57) KDRPDGFRBMAPTPOLBMAOB
SCHEMBL9954811 0.80 GRM5 (0.59) KDRPDGFRBMAPTMAOBGRM5

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