SCHEMBL21084889

SCHEMBL21084889

OCCN1CCN(CC2CCCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.48
ADRA2C P18825 1/20 0.48
GBA1 P04062 2/20 0.43
ACHE P22303 1/20 0.42
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
SIGMAR1 Q99720 4/20 0.38
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TMEM97 Q5BJF2 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL10671758 0.86 CHRM5 (0.61) CHRM5ADRA2CGBA1ACHEKMT2A
SCHEMBL22783243 0.80 CHRM5 (0.48) CHRM5ADRA2CACHESMN1; SMN2OPRM1
SCHEMBL10755143 0.78 ALDH1A1 (0.52) ADRA2CKMT2APKMSIGMAR1OPRM1
SCHEMBL21085341 0.75 CHRM5 (0.52) CHRM5ADRA2CACHESMN1; SMN2SIGMAR1
SCHEMBL21650864 0.75 CHRM5 (0.52) CHRM5ADRA2CGBA1ACHESMN1; SMN2
SCHEMBL18401282 0.73 CHRM5 (0.56) CHRM5ADRA2CACHESMN1; SMN2SIGMAR1
SCHEMBL18401417 0.73 CHRM5 (0.56) CHRM5ADRA2CACHESMN1; SMN2SIGMAR1
SCHEMBL22422525 0.73 CHRM5 (0.56) CHRM5ADRA2CACHESMN1; SMN2SIGMAR1
SCHEMBL22929031 0.73 OPRK1 (0.47) CHRM5ADRA2CACHESMN1; SMN2OPRM1
SCHEMBL11596303 0.73 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2SIGMAR1

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