SCHEMBL9752179

SCHEMBL9752179

CC[N+]1(CC)CCCCC1.[BH4-]

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL2865219 0.97 CHRNA7 (0.34) CHRNA7CHRM2CHRM4CHRM5CYP2D6
SCHEMBL19307655 0.97 CHRNA7 (0.34) CHRNA7CHRM2CHRM4CHRM5CYP2D6
SCHEMBL10386589 0.97 CHRNA7 (0.34) CHRNA7
SCHEMBL19307694 0.97 CHRNA7 (0.34) CHRNA7CHRM2CHRM4CHRM5CYP2D6
SCHEMBL575098 0.97 CHRNA7 (0.34) CHRNA7CHRM2CHRM4CHRM5CYP2D6
Bromide SCHEMBL8953751 0.93 CHRNA7 (0.33) CHRNA7CHRM2CHRM4CHRM5CYP2D6
Iodide SCHEMBL8780642 0.93 CHRNA7 (0.33) CHRNA7CHRM2CHRM4CHRM5CYP2D6
Water SCHEMBL22772155 0.93 CHRNA7 (0.33) CHRNA7CHRM2CHRM4CHRM5CYP2D6
Iodide SCHEMBL9055249 0.93 CHRNA7 (0.33) CHRNA7CHRM2CHRM4CHRM5CYP2D6
Iodide SCHEMBL8780639 0.93 CHRNA7 (0.33) CHRNA7CHRM2CHRM4CHRM5CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991001391-A1 PRODUCTION OF METAL BOROHYDRIDES AND ORGANIC ONIUM BOROHYDRIDES SOUTHWESTERN ANALYTICAL CHEMICALS, INC. (US) 1991-02-07 WO disclosed
WO-1990015170-A1 PRODUCTION OF QUATERNARY AMMONIUM AND QUATERNARY PHOSPHONIUM BOROHYDRIDES SOUTHWESTERN ANALYTICAL CHEMICALS, INC. (US) 1990-12-13 WO disclosed
US-4931154-A Production of metal borohydrides and organic onium borohydrides SOUTHWESTERN ANALYTICAL CHEMICALS, INC. (US) 1990-06-05 US disclosed
US-4904357-A Production of quaternary ammonium and quaternary phosphonium borohydrides SOUTHWESTERN ANALYTICAL (US) 1990-02-27 US disclosed