SCHEMBL8777870

SCHEMBL8777870

c1ccc(-c2cccc(C3CN4CCC3CC4)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.72
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
HRH3 Q9Y5N1 1/20 0.43
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41

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
Hydrochloric Acid SCHEMBL8688078 0.98 CHRNA7 (0.70) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL873067 0.85 CHRNA7 (0.79) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3217359 0.84 CHRNA7 (1.00) CHRNA7CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL8686664 0.83 CHRNA7 (0.77) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9677934 0.79 CHRNA7 (0.64) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL4689211 0.75 CHRNA7 (0.64) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9494661 0.75 CHRNA7 (0.58) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9496249 0.75 CHRNA7 (0.58) CHRNA7
Oxalic Acid SCHEMBL9492723 0.72 CHRNA7 (0.54) CHRNA7
Oxalic Acid SCHEMBL9494045 0.72 CHRNA7 (0.54) CHRNA7

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
EP-0569564-B1 BIPHENYLYLQUINUCLIDINES, USEFUL AS SQUALENE SYNTHETASE INHIBITORS ZENECA LTD (GB) 1997-12-29 EP claimed
EP-0569564-A1 BIPHENYLYLQUINUCLIDINES, USEFUL AS SQUALENE SYNTHETASE INHIBITORS ZENECA LIMITED (GB) 1993-11-18 EP claimed
WO-1993009115-A1 BIPHENYLYLQUINUCLIDINES, USEFUL AS SQUALENE SYNTHETASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-13 WO claimed