SCHEMBL28217067

SCHEMBL28217067

FC(F)(F)Oc1cc(Br)cc2ccoc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
SCN9A Q15858 2/20 0.32
GRIN2B Q13224 1/20 0.31
S1PR1 P21453 2/20 0.31
ALPL P05186 2/20 0.30
TRPA1 O75762 1/20 0.30
MPL P40238 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
SCHEMBL7348302 0.77 MAOB (0.49) MAOBMAOA
SCHEMBL18530968 0.74 ELANE (0.34) MAOBMAOA
SCHEMBL29678611 0.74 CA12 (0.33) MAOBMAOATRPA1
SCHEMBL28216620 0.74 S1PR1 (0.34) HRH4S1PR1
SCHEMBL2296131 0.71 TRPA1 (0.34) MAOBMAOATRPA1
SCHEMBL16426152 0.70 GPR35 (0.37) MAOBMAOA
SCHEMBL3372189 0.69 MAOB (0.46) MAOBMAOA
SCHEMBL14741951 0.67 NMT1 (0.32) MAOBMAOA
SCHEMBL7487069 0.67 MAOB (0.38) MAOBMAOA
SCHEMBL1064292 0.67 MAOA (0.37) MAOBMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440515-A Substituted benzofuranyl and benzoxazole based compound and application thereof 卡尔约药物治疗公司 2018-08-24 CN disclosed
CN-105492437-B Substituted benzofuranyl and benzoxazolyl compounds and uses thereof 卡尔约药物治疗公司 2018-05-11 CN disclosed