SCHEMBL9783206

SCHEMBL9783206

CCC=CCCB(c1cccc(OC)c1)c1ccccc1F.CCc1cc(F)cc(Cc2ncc[nH]2)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL9783680 0.89 TAAR1 (0.38) TAAR1HTR1A
SCHEMBL9783968 0.83 TAAR1 (0.41) TAAR1HTR1A
SCHEMBL9783821 0.80 TAAR1 (0.34) TAAR1HTR1A
SCHEMBL9784069 0.76 TAAR1 (0.40) TAAR1HTR1A
SCHEMBL9783870 0.75 — —
SCHEMBL9783026 0.74 TAAR1 (0.37) TAAR1HTR1A
SCHEMBL9783770 0.71 TAAR1 (0.45) TAAR1HTR1A
SCHEMBL9783511 0.70 TAAR1 (0.44) TAAR1HTR1A
SCHEMBL9783999 0.69 — —
SCHEMBL9783781 0.67 TAAR1 (0.48) TAAR1HTR1A

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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