SCHEMBL6940916

SCHEMBL6940916

CN(C)c1ccccc1CC1CCCCC1(O)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.42
SLC6A4 P31645 9/20 0.42
OPRM1 P35372 7/20 0.42
OPRD1 P41143 4/20 0.42
OPRK1 P41145 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC22A1 O15245 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
KCNN4 O15554 5/20 0.38
TRPA1 O75762 2/20 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
SCHEMBL6937437 0.84 LMNA (0.46) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6936267 0.83 OPRM1 (0.43) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6936991 0.82 SLC6A4 (0.51) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6939036 0.81 SLC6A4 (0.48) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6939180 0.81 SLC6A4 (0.43) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6936956 0.80 SLC6A2 (0.49) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6936284 0.80 SLC6A4 (0.49) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6941381 0.80 SLC6A4 (0.44) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6938759 0.80 SLC6A4 (0.49) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6941054 0.80 SLC6A4 (0.44) SLC6A2SLC6A4OPRM1OPRD1OPRK1

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