SCHEMBL21085341

SCHEMBL21085341

CCN1CCN(CC2CCCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.52
ADRA2C P18825 1/20 0.52
ACHE P22303 1/20 0.50
HSD11B1 P28845 2/20 0.42
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
OPRK1 P41145 1/20 0.36
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
SIGMAR1 Q99720 2/20 0.35

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
SCHEMBL12950312 0.86 CHRM5 (0.62) CHRM5ADRA2CACHEHSD11B1OPRM1
SCHEMBL10241640 0.84 CHRM5 (0.67) CHRM5ADRA2CACHEHSD11B1OPRM1
SCHEMBL22783243 0.83 CHRM5 (0.48) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL27423846 0.82 CHRM5 (0.56) CHRM5ADRA2CACHEHSD11B1OPRM1
SCHEMBL21650864 0.78 CHRM5 (0.52) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL22422525 0.77 CHRM5 (0.56) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL18401417 0.77 CHRM5 (0.56) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL18401282 0.77 CHRM5 (0.56) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL3477990 0.77 CHRM5 (0.48) CHRM5ADRA2CACHEHSD11B1OPRM1
SCHEMBL11596303 0.76 CHRM5 (0.84) CHRM5ADRA2CACHEOPRM1OPRL1

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
US-20190173078-A1 Electroactive Ionic Liquids And Surface-Modified Substrates Containing Them CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-06-06 US disclosed