SCHEMBL9783350

SCHEMBL9783350

BCCCC(c1ccccc1)c1ccccc1.CCc1nc[nH]c1CC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 9/20 0.41
▸ HTR2A P28223 5/20 0.39
▸ HRH1 P35367 5/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ TBXAS1 P24557 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ MTOR P42345 1/20 0.32

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
SCHEMBL9783740 0.74 CYP19A1 (0.68) CYP19A1
SCHEMBL7857005 0.73 — —
SCHEMBL9783535 0.70 KDM4E (0.30) —
SCHEMBL9783593 0.70 PNMT (0.39) —
SCHEMBL9783783 0.69 CYP19A1 (0.48) CYP19A1HTR2AHRH1
Imidazole SCHEMBL9783346 0.67 HRH1 (0.44) CYP19A1HTR2AHRH1SIGMAR1TBXAS1
SCHEMBL6661940 0.67 HRH1 (0.61) CYP19A1HTR2AHRH1SIGMAR1TBXAS1
SCHEMBL1293020 0.62 SIGMAR1 (0.61) HTR2AHRH1SIGMAR1
SCHEMBL23393724 0.62 HRH2 (0.33) HRH1
SCHEMBL12329374 0.62 HRH1 (0.56) HTR2AHRH1SIGMAR1

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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