SCHEMBL9783587

SCHEMBL9783587

CCc1nc(BCC(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)[nH]c1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.39
▸ DAO P14920 1/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ ACP3 P15309 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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
SCHEMBL9783383 0.78 HRH1 (0.39) PNMTDAOIDO1TDO2
SCHEMBL9783593 0.69 PNMT (0.39) PNMTDAOIDO1TDO2ACP3
SCHEMBL19593126 0.68 PNMT (0.54) PNMTDAOIDO1TDO2ACP3
Ammonia Solution, Strong SCHEMBL6000923 0.67 PNMT (0.53) PNMTDAOIDO1TDO2ACP3
SCHEMBL12086050 0.66 IDO1 (0.53) PNMTIDO1TDO2ACP3ALDH1A1
SCHEMBL27762532 0.65 PNMT (0.58) PNMTIDO1TDO2ACP3ALDH1A1
SCHEMBL2626796 0.64 HRH3 (0.49) PNMTALDH1A1MEN1CYP1A2POLB
SCHEMBL13951834 0.62 PNMT (0.54) PNMTDAOIDO1TDO2ACP3
SCHEMBL2105356 0.61 PNMT (0.43) PNMTDAOIDO1TDO2ACP3
SCHEMBL24779791 0.61 PNMT (0.53) PNMTDAOIDO1TDO2ACP3

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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