SCHEMBL2823740

SCHEMBL2823740

C[N+]12CCC(CC1)C(NC(=O)C1(O)c3ccccc3-c3ccccc31)C2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.59
CHRM2 P08172 14/20 0.59
CHRM1 P11229 14/20 0.59
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2D6 P10635 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37

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 SCHEMBL2820158 0.99 CHRM3 (0.58) CHRM3CHRM2CHRM1THRBTDP1
SCHEMBL2824520 0.77 CHRM3 (0.65) CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL2821879 0.76 CHRM3 (0.66) CHRM3CHRM2CHRM1
SCHEMBL2824518 0.75 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL2824565 0.75 CHRM3 (0.72) CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL2820037 0.75 CHRM3 (1.00) CHRM3CHRM2CHRM1
Bromide SCHEMBL2820151 0.74 CHRM3 (0.73) CHRM3CHRM2CHRM1
SCHEMBL2822001 0.74 CHRM3 (0.68) CHRM3CHRM2CHRM1
SCHEMBL2819764 0.74 CHRM2 (1.00) CHRM3CHRM2CHRM1
SCHEMBL2823841 0.74 CHRM2 (1.00) CHRM3CHRM2CHRM1

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