SCHEMBL6940299

SCHEMBL6940299

CN(C)C(c1ccccc1Cl)C1CCCCC1(O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
OPRL1 P41146 11/20 0.42
OPRM1 P35372 6/20 0.37
SLC6A9 P48067 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
AOC3 Q16853 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 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
SCHEMBL6941158 0.90 SLC6A2 (0.39) SLC6A2SLC6A4OPRL1OPRM1NISCH
SCHEMBL6680122 0.89 SLC6A2 (0.42) SLC6A2SLC6A4OPRL1OPRM1NISCH
SCHEMBL6940264 0.89 SLC6A2 (0.44) SLC6A2SLC6A4OPRL1OPRM1NISCH
SCHEMBL6936116 0.87 SLC6A9 (0.39) SLC6A2SLC6A4OPRL1OPRM1SLC6A9
SCHEMBL6676290 0.87 SLC6A2 (0.41) SLC6A2SLC6A4OPRL1OPRM1TMEM97
SCHEMBL6936762 0.84 SLC6A9 (0.39) SLC6A4OPRL1OPRM1SLC6A9OPRD1
SCHEMBL6936962 0.84 SLC6A4 (0.40) SLC6A2SLC6A4OPRL1SLC6A9
SCHEMBL6934468 0.84 SLC6A3 (0.42) SLC6A2SLC6A4SLC6A9
Hydrochloric Acid SCHEMBL7741182 0.83 OPRL1 (0.39) SLC6A4OPRL1OPRM1SLC6A9OPRD1
SCHEMBL6679404 0.82 SLC6A2 (0.42) SLC6A2SLC6A4OPRL1OPRM1NISCH

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 6 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
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP claimed
EP-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP disclosed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US disclosed
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP disclosed