SCHEMBL20406167

SCHEMBL20406167

CCc1ncccc1-c1cccnc1Oc1ccc(CCOC(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.41
▸ CYSLTR1 Q9Y271 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RORC P51449 1/20 0.35

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
SCHEMBL20394174 0.87 PDE10A (0.47) GRM2CYSLTR1MAPTPDE10A
SCHEMBL20406528 0.76 PDE10A (0.37) GRM2CYSLTR1MAPTL3MBTL1PDE10A
SCHEMBL20394360 0.76 PDE10A (0.45) PDE10A
SCHEMBL20406527 0.75 GAA (0.39) GRM2CYSLTR1MAPTL3MBTL1PDE10A
SCHEMBL20406415 0.73 AHR (0.39) MAPTPDE10AMEN1KMT2A
SCHEMBL20406760 0.73 PDE10A (0.40) GRM2CYSLTR1MAPTL3MBTL1PDE10A
SCHEMBL20406654 0.72 RORC (0.44) MAPTPDE10AMEN1KMT2ARORC
SCHEMBL20394285 0.72 PDE10A (0.52) GRM2CYSLTR1PDE10AKMT2A
SCHEMBL20406230 0.72 MEN1 (0.37) MAPTL3MBTL1PDE10AMEN1KMT2A
SCHEMBL20394394 0.72 PDE10A (0.44) PDE10AMEN1KMT2A

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
EP-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 — — EP disclosed
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