SCHEMBL29024043

SCHEMBL29024043

O=CC1CCC(CC2OCCO2)(c2ccccn2)CN1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.37
SLC6A2 P23975 1/20 0.33
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
HSD11B1 P28845 2/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN5A Q14524 1/20 0.30

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
SCHEMBL28869101 0.77 CXCR3 (0.36) OPRM1SLC6A2DRD2DRD3
SCHEMBL29967398 0.75 SLC6A2 (0.38) OPRM1SLC6A2DRD2DRD3
SCHEMBL29024045 0.67 OPRM1 (0.33) OPRM1SLC6A2DRD2DRD3HSD11B1
SCHEMBL28270989 0.67 HSD11B1 (0.39) OPRM1HSD11B1CHRM2CHRM4CHRM5
SCHEMBL29024060 0.65 OPRM1 (0.34) OPRM1SLC6A2DRD2DRD3HSD11B1
SCHEMBL28270921 0.64 OPRM1 (0.35) OPRM1SLC6A2CHRM2CHRM4CHRM5
SCHEMBL31114112 0.62 OPRM1 (0.46) OPRM1DRD2DRD3OPRD1OPRK1
SCHEMBL30790758 0.61 OPRM1 (0.47) OPRM1SLC6A2HSD11B1CHRM2CHRM4
SCHEMBL27381576 0.60 CYP2D6 (0.40) OPRM1SLC6A2OPRD1OPRK1KCNH2
SCHEMBL31114014 0.60 OPRM1 (0.48) OPRM1DRD2DRD3

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
CN-115124520-A Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2022-09-30 CN disclosed