SCHEMBL765328

SCHEMBL765328

OC1(c2ccccn2)CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
OPRK1 P41145 1/20 0.55
OPRL1 P41146 1/20 0.55
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
HSD11B1 P28845 2/20 0.46
HRH3 Q9Y5N1 1/20 0.44
CCR1 P32246 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
SLC6A2 P23975 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL31221485 1.00 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL4064144 1.00 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL29980976 0.98 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL537135 0.98 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL29980665 0.94 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL536677 0.94 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL24455261 0.90 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL2265705 0.82 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL536557 0.81 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL171507 0.81 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1GRIN1

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
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP disclosed