SCHEMBL20406227

SCHEMBL20406227

FC(F)(F)c1ccc(Oc2ncccc2Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 6/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ DRD1 P21728 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ PLAAT3 P53816 1/20 0.36
▸ PLAAT5 Q96KN8 1/20 0.36
▸ PLAAT2 Q9NWW9 1/20 0.36
▸ PLAAT4 Q9UL19 1/20 0.36

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
SCHEMBL20406170 0.89 PDE10A (0.39) PDE10AALDH1A1MAPTATMDRD1
SCHEMBL20394463 0.88 PDE10A (0.38) PDE10ASCN9APLAAT3PLAAT5PLAAT2
SCHEMBL20406169 0.85 PDE10A (0.39) PDE10ASCN9AALDH1A1MAPTATM
SCHEMBL20406192 0.84 PDE10A (0.41) PDE10ASCN9ATRPV4ALDH1A1MAPT
SCHEMBL20406280 0.83 PDE10A (0.40) PDE10AALDH1A1MAPTATMDRD1
SCHEMBL20406073 0.83 PDE10A (0.35) PDE10ASCN9ADRD1
SCHEMBL31474516 0.82 GRM5 (0.42) SCN9ATRPV4ALDH1A1MAPTGRM5
SCHEMBL26109314 0.82 GRM5 (0.42) SCN9ATRPV4ALDH1A1MAPTGRM5
SCHEMBL20406219 0.81 PDE10A (0.46) PDE10AALDH1A1MAPTATM
SCHEMBL20406071 0.80 PDE10A (0.44) PDE10ADRD1

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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