SCHEMBL26070071

SCHEMBL26070071

COc1cccc(OCc2cc(Cl)cc(OC(F)(F)F)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.52
▸ APP P05067 1/20 0.49
▸ GRIN2B Q13224 1/20 0.46
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ MRGPRX4 Q96LA9 2/20 0.44
▸ ABCB1 P08183 1/20 0.42
▸ BCHE P06276 1/20 0.41

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
SCHEMBL21945067 0.85 APP (0.48) MAOBAPPGRIN2BMRGPRX4
SCHEMBL18002223 0.81 MAOB (0.56) MAOBMRGPRX4
SCHEMBL16214988 0.78 GRIN2B (0.44) GRIN2BMRGPRX4
SCHEMBL791896 0.77 MAOB (0.70) MAOBAPPMRGPRX4
SCHEMBL17071826 0.76 ALDH1A1 (0.46) GRIN2B
SCHEMBL791305 0.75 MAOB (0.73) MAOBAPPMRGPRX4
SCHEMBL1526052 0.74 NPC1 (0.53) MAOBGRIN2B
SCHEMBL8198914 0.73 GRIN2B (0.44) GRIN2B
SCHEMBL13463063 0.73 MAOB (0.58) MAOBMRGPRX4BCHE
SCHEMBL28422875 0.72 MAOB (0.62) MAOBMRGPRX4BCHE

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-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
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