SCHEMBL8314136

SCHEMBL8314136

c1ccc(C23CCN(CC2)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.45
OPRM1 P35372 8/20 0.44
DRD4 P21917 1/20 0.44
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
KCNH2 Q12809 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
CYP2B6 P20813 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
PRCP P42785 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
OPRD1 P41143 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 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
SCHEMBL348028 0.86 PNMT (0.54) PNMTOPRM1DRD4GRIN2DGRIN3B
SCHEMBL8015804 0.86 POLB (0.40) OPRM1DRD4CYP2D6HSD11B1
Hydrochloric Acid SCHEMBL29535702 0.84 PNMT (0.52) PNMTOPRM1DRD4GRIN2DGRIN3B
SCHEMBL25053841 0.78 OPRM1 (0.36) OPRM1DRD4SLC6A2SLC6A4SLC6A3
SCHEMBL2677518 0.78 CHRM2 (0.54) OPRM1OPRD1CHRM2CHRM1OPRK1
SCHEMBL2677751 0.75 HSD11B1 (0.42) HSD11B1
SCHEMBL22918207 0.74 HPGD (0.37) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL2679166 0.73 HSD11B1 (0.41) HSD11B1
SCHEMBL2678582 0.73 CHRM2 (0.49) OPRM1OPRD1CHRM2CHRM1OPRK1
SCHEMBL4463296 0.71 HSD11B1 (0.40) HSD11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915882-A1 1-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1999-05-19 EP disclosed
WO-1998007722-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONIST PFIZER LIMITED (GB) 1998-02-26 WO disclosed
WO-1998004561-A1 1-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1998-02-05 WO disclosed