SCHEMBL20406332

SCHEMBL20406332

N#Cc1ccccc1-c1cccnc1Oc1ccc(C(F)(F)F)nc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.41
▸ GABRA1 P14867 7/20 0.40
▸ GABRG2 P18507 7/20 0.40
▸ GABRB3 P28472 7/20 0.40
▸ GABRA3 P34903 6/20 0.40
▸ GABRA5 P31644 3/20 0.40
▸ GABRA2 P47869 1/20 0.37
▸ GPBAR1 Q8TDU6 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
SCHEMBL20394334 0.88 PDE10A (0.37) PDE10A
SCHEMBL20394435 0.83 FEN1 (0.40) PDE10A
SCHEMBL20394463 0.81 PDE10A (0.38) PDE10A
SCHEMBL20394437 0.81 PDE10A (0.39) PDE10A
SCHEMBL20394300 0.81 FEN1 (0.40) PDE10A
SCHEMBL20394456 0.81 GRM5 (0.39) PDE10A
SCHEMBL18661504 0.81 PDE10A (0.43) PDE10AGPBAR1
SCHEMBL20394342 0.80 PTGS2 (0.40) PDE10A
SCHEMBL20406577 0.80 PDE10A (0.37) PDE10A
SCHEMBL18661517 0.80 PDE10A (0.46) PDE10A

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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