SCHEMBL30407409

SCHEMBL30407409

OC1(c2ccccn2)CCC2(CC1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
SLC6A2 P23975 1/20 0.40
CCR1 P32246 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
HSD11B1 P28845 1/20 0.36
F12 P00748 1/20 0.35
PDE10A Q9Y233 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL745498 1.00 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL24455261 0.86 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL536557 0.81 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL29460900 0.80 GRIN1 (0.37) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL17443870 0.80 GRIN1 (0.37) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL11920692 0.80 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL4324002 0.79 PDE10A (0.36) OPRM1OPRD1OPRK1OPRL1PDE10A
SCHEMBL745489 0.79 PDE10A (0.31) OPRM1OPRL1F12PDE10AALDH1A1
SCHEMBL743725 0.79 OPRM1 (0.37) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL29980665 0.78 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1SLC6A2

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
WO-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 WO disclosed