SCHEMBL23906321

SCHEMBL23906321

CC(C)c1c(O[C@@H](c2ccc(C(N)O)cc2)c2cccc(C#N)c2)ccc2c1OCCC2=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
TNF P01375 1/20 0.32
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
ADRA1D P25100 3/20 0.30
ADRA2B P18089 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL30251162 0.90 GRM5 (0.38) GRM5TNFMAOBMAOAADRA1D
SCHEMBL30251163 0.90 GRM5 (0.38) GRM5TNFMAOBMAOAADRA1D
SCHEMBL30251244 0.90 GRM5 (0.38) GRM5TNFMAOBMAOAADRA1D
SCHEMBL23882920 0.90 GRM5 (0.38) GRM5TNFMAOBMAOAADRA1D
SCHEMBL26159492 0.90 GRM5 (0.38) GRM5TNFMAOBMAOAADRA1D
SCHEMBL23905950 0.90 GRM5 (0.38) GRM5TNFMAOBMAOAADRA1D
SCHEMBL26160495 0.90 GRM5 (0.40) GRM5TNFMAOBMAOA
SCHEMBL26160500 0.90 GRM5 (0.40) GRM5TNFMAOBMAOA
SCHEMBL23882746 0.85 MAOB (0.36) GRM5MAOB
SCHEMBL30251349 0.85 MAOB (0.36) GRM5MAOB

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-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 WO disclosed