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Sugi Predict / Compounds / SCHEMBL9955388

SCHEMBL9955388

SCHEMBL9955388

O=C(C1CC1)N1CCc2nc(Nc3cccc(Cl)c3)ncc2C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.58
▸ MAOB P27338 2/20 0.58
▸ KDR P35968 7/20 0.55
▸ PDGFRB P09619 9/20 0.53
▸ MAOA P21397 1/20 0.49
▸ BTK Q06187 1/20 0.48
▸ MAPT P10636 1/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ SIRT5 Q9NXA8 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
SCHEMBL9954811 0.96 GRM5 (0.59) GRM5MAOBKDRPDGFRBMAOA
SCHEMBL9954102 0.89 MAOB (0.61) GRM5MAOBKDRPDGFRBMAOA
SCHEMBL9954695 0.86 PDGFRB (0.66) GRM5MAOBKDRPDGFRBMAOA
SCHEMBL9955875 0.86 MAOB (0.61) GRM5MAOBKDRPDGFRBMAOA
SCHEMBL9955054 0.86 MAOB (0.61) GRM5MAOBKDRPDGFRBMAOA
SCHEMBL9955998 0.85 MAOB (0.57) GRM5MAOBKDRPDGFRBMAOA
SCHEMBL9955257 0.85 PDGFRB (0.71) GRM5MAOBKDRPDGFRBMAOA
SCHEMBL9953995 0.85 MAOB (0.57) GRM5MAOBKDRPDGFRBMAOA
SCHEMBL9955865 0.83 PDGFRB (0.55) GRM5MAOBKDRPDGFRBMAOA
SCHEMBL9955716 0.83 GRM5 (0.55) GRM5MAOBKDRPDGFRBMAOA

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