SCHEMBL4862996

SCHEMBL4862996

Nc1ccc(-c2nnccc2O[C@H]2CN3CCC2CC3)cc1N

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.41
ATR Q13535 4/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL1542512 0.74 CHRNA7 (0.67) CHRNA7CHRM2CHRM1
SCHEMBL15786890 0.71 CHRM2 (0.48) CHRNA7ATRCHRM2CHRM4CHRM5
SCHEMBL15786891 0.71 CHRM2 (0.48) CHRNA7ATRCHRM2CHRM4CHRM5
SCHEMBL15786892 0.71 CHRM2 (0.48) CHRNA7ATRCHRM2CHRM4CHRM5
SCHEMBL5706620 0.71 CHRM2 (0.42) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL5706619 0.70 CHRNA7 (0.60) CHRNA7CHRM2CHRM1
SCHEMBL5408169 0.68 CHRNA7 (0.55) CHRNA7CHRM1
SCHEMBL5420826 0.68 CHRNA7 (0.55) CHRNA7CHRM1
Hydrochloric Acid SCHEMBL5430453 0.67 CHRNA7 (0.54) CHRNA7
SCHEMBL5416196 0.67 CHRNA7 (0.51) CHRNA7CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896469-A2 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2008-03-12 EP disclosed
WO-2007018738-A2 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2007-02-15 WO disclosed