SCHEMBL9783259

SCHEMBL9783259

BCC(c1ccccc1)c1ccccc1.c1ccc(Cc2cnc[nH]2)cc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.73
TAAR1 Q96RJ0 2/20 0.73
HRH4 Q9H3N8 2/20 0.54
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP2D6 P10635 1/20 0.52
CYP19A1 P11511 5/20 0.49

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
SCHEMBL1034848 0.85 HRH3 (1.00) HRH3TAAR1HRH4CYP3A4MAPT
SCHEMBL9783364 0.76 CYP19A1 (0.58) HRH3HRH4CYP19A1
SCHEMBL226163 0.75 CYP19A1 (0.58) HRH3TAAR1HRH4CYP19A1
SCHEMBL9783400 0.74 ADRA2A (0.48) HRH3HRH4CYP3A4CYP2D6CYP19A1
SCHEMBL2626857 0.72 HRH3 (1.00) HRH3TAAR1HRH4CYP2D6
SCHEMBL9783245 0.72 HRH3 (0.71) HRH3TAAR1HRH4CYP3A4MAPT
Immethridine SCHEMBL29462340 0.71 HRH3 (1.00) HRH3TAAR1HRH4CYP3A4MAPT
SCHEMBL10217408 0.70 HRH3 (0.69) HRH3TAAR1HRH4CYP3A4MAPT
SCHEMBL9783613 0.70 TAAR1 (0.73) TAAR1MAPTSMN1; SMN2CYP2D6
SCHEMBL224745 0.70 TAAR1 (1.00) HRH3TAAR1HRH4

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