SCHEMBL6936267

SCHEMBL6936267

CN(C)c1ccccc1CC1CCCCC1(O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.43
SLC6A2 P23975 10/20 0.43
SLC6A4 P31645 10/20 0.43
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC22A1 O15245 3/20 0.41
TRPA1 O75762 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A9 P48067 4/20 0.38
OPRL1 P41146 2/20 0.38
SLC6A5 Q9Y345 2/20 0.38
KCNH2 Q12809 1/20 0.38
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL6936956 0.90 SLC6A2 (0.49) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL6938759 0.89 SLC6A4 (0.49) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL6941381 0.89 SLC6A4 (0.44) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL6941054 0.89 SLC6A4 (0.44) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL6937031 0.88 SLC6A4 (0.43) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL6939180 0.88 SLC6A4 (0.43) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL6936991 0.87 SLC6A4 (0.51) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL6937437 0.87 LMNA (0.46) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL6934477 0.86 SLC6A4 (0.52) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL6941665 0.85 OPRM1 (0.44) OPRM1SLC6A2SLC6A4OPRD1OPRK1

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-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP claimed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US claimed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US disclosed