SCHEMBL2820868

SCHEMBL2820868

O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 1.00
CHRM2 P08172 17/20 1.00
CHRM1 P11229 17/20 1.00
CHRM4 P08173 2/20 0.54
CHRM5 P08912 2/20 0.54
ADRA2A P08913 2/20 0.54
ADRA2C P18825 2/20 0.54
TACR1 P25103 2/20 0.54
ADRA1A P35348 2/20 0.54
HRH1 P35367 2/20 0.54
OPRK1 P41145 2/20 0.54
KCNH2 Q12809 2/20 0.54

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
Bromide SCHEMBL2821125 0.99 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL6203173 0.85 CHRM3 (0.73) CHRM3CHRM2CHRM1
Bromide SCHEMBL6203170 0.85 CHRM3 (0.73) CHRM3CHRM2CHRM1
SCHEMBL71845 0.83 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL71844 0.83 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2823509 0.80 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2823549 0.80 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2821709 0.80 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2826987 0.80 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2820024 0.80 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519933-B1 QUINUCLIDINE AMIDE DERIVATIVES ALMIRALL SA (ES) 2010-05-12 EP claimed