SCHEMBL22929031

SCHEMBL22929031

CC(=O)OCCN1CCN(CC2CCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.47
OPRL1 P41146 3/20 0.47
OPRM1 P35372 2/20 0.47
SLC18A3 Q16572 1/20 0.45
CHRM5 P08912 1/20 0.38
ADRA2C P18825 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.34
HRH1 P35367 2/20 0.34
BDKRB2 P30411 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 1/20 0.33
HRH2 P25021 1/20 0.32
OPRD1 P41143 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL21085335 0.86 OPRM1 (0.38) OPRK1OPRL1OPRM1SLC18A3CHRM5
SCHEMBL20609092 0.76 SLC18A3 (0.56) SLC18A3CHRM5SMN1; SMN2HRH1ALDH1A1
SCHEMBL9328257 0.76
SCHEMBL14500225 0.75 SLC18A3 (0.51) SLC18A3CHRM5SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL21084889 0.73 CHRM5 (0.48) OPRL1OPRM1CHRM5ADRA2CSMN1; SMN2
SCHEMBL22783243 0.73 CHRM5 (0.48) OPRL1OPRM1CHRM5ADRA2CSMN1; SMN2
SCHEMBL65995 0.73 SLC18A3 (0.53) SLC18A3CHRM5ADRA2CHRH1ALDH1A1
SCHEMBL11858444 0.71 SLC18A3 (0.51) SLC18A3CHRM5SMN1; SMN2ALDH1A1
SCHEMBL64545 0.71 KMT2A (0.51) SLC18A3ALDH1A1
SCHEMBL13236346 0.70 SLC18A3 (0.50) SLC18A3CHRM5SMN1; SMN2ALDH1A1HSD11B1

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-10910634-B2 Electroactive ionic liquids and surface-modified substrates containing them UNIVERSITÉ PARIS CITÉ (FR) 2021-02-02 US disclosed