SCHEMBL4031929

SCHEMBL4031929

CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 18/20 0.98
CHRM4 P08173 8/20 0.98
CHRM2 P08172 5/20 0.98
CHRM5 P08912 5/20 0.98
CHRM3 P20309 5/20 0.98
HTR1A P08908 1/20 0.80
ADRA2A P08913 1/20 0.80
MAOA P21397 1/20 0.80
DRD1 P21728 1/20 0.80
ACHE P22303 1/20 0.80
SLC6A2 P23975 1/20 0.80
PDE4A P27815 1/20 0.80
SLC6A4 P31645 1/20 0.80
ADRA1A P35348 1/20 0.80
DRD3 P35462 1/20 0.80
HTR2B P41595 1/20 0.80
SLC6A3 Q01959 1/20 0.80
KCNH2 Q12809 1/20 0.80
CACNA1C Q13936 1/20 0.80
SCN5A Q14524 1/20 0.80

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 SCHEMBL4029826 0.99 CHRM1 (1.00) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6906685 0.95 CHRM1 (1.00) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL4035543 0.94 CHRM1 (1.00) CHRM1CHRM4CHRM2CHRM5CHRM3
Hydrochloric Acid SCHEMBL4031351 0.90 CHRM1 (0.97) CHRM1CHRM4CHRM2CHRM5CHRM3
Oxalic Acid SCHEMBL7615829 0.90 CHRM1 (0.89) CHRM1CHRM4CHRM2CHRM5CHRM3
Xanomeline SCHEMBL121046 0.89 CHRM1 (1.00) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6907880 0.89 CHRM1 (1.00) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6913473 0.89 CHRM1 (1.00) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL23359075 0.88 CHRM1 (0.88) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6607507 0.88 CHRM1 (0.88) CHRM1CHRM4CHRM2CHRM5CHRM3

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-1355646-B1 MUSCARINIC RECEPTOR AGONISTS UNIV TOLEDO (US) 2009-05-13 EP claimed