SCHEMBL9783383

SCHEMBL9783383

CCc1cnc(BCC(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ PNMT P11086 1/20 0.39
▸ DAO P14920 2/20 0.37
▸ KCNA5 P22460 1/20 0.36
▸ SCN2A Q99250 2/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL9783587 0.78 PNMT (0.39) PNMTDAOIDO1TDO2
SCHEMBL9783388 0.71 CYP19A1 (0.46) PNMT
SCHEMBL19593126 0.69 PNMT (0.54) PNMTDAOIDO1TDO2
Ammonia Solution, Strong SCHEMBL6000923 0.68 PNMT (0.53) PNMTDAOIDO1TDO2
SCHEMBL2626796 0.67 HRH3 (0.49) HRH1HRH4PNMT
SCHEMBL12086050 0.66 IDO1 (0.53) PNMTIDO1TDO2
SCHEMBL27762532 0.65 PNMT (0.58) PNMTIDO1TDO2
SCHEMBL2105356 0.64 PNMT (0.43) PNMTDAOIDO1TDO2
SCHEMBL958437 0.64 FPR2 (0.44) PNMTIDO1TDO2
SCHEMBL13951834 0.63 PNMT (0.54) PNMTDAOIDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5051514-A Complexing boranes and imidazoles CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-09-24 — — US disclosed
EP-0432987-A2 Fungicidal organoborane imidazole compounds and intermediates therefor CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-06-19 — — EP disclosed
US-4983589-A Fungicidal imidazole diphenylaliphaticboranes and derivatives thereof CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-01-08 — — US disclosed
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