SCHEMBL2927732

SCHEMBL2927732

O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)C1CCCC1)C2)Nc1ncncn1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.63
CHRM2 P08172 13/20 0.63
CHRM1 P11229 13/20 0.63
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
ADRA2A P08913 2/20 0.48
ADRA2C P18825 2/20 0.48
TACR1 P25103 2/20 0.48
ADRA1A P35348 2/20 0.48
HRH1 P35367 2/20 0.48
OPRK1 P41145 2/20 0.48
KCNH2 Q12809 2/20 0.48

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
SCHEMBL2927730 1.00 CHRM3 (0.63) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2798100 0.99 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2934135 0.99 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2798099 0.99 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2934134 0.99 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2797510 0.98 CHRM3 (0.63) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2797508 0.98 CHRM3 (0.63) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2933863 0.94 CHRM3 (0.65) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2933861 0.94 CHRM3 (0.65) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2794281 0.93 CHRM3 (0.65) 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-1811999-B1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2010-09-15 EP claimed