SCHEMBL6940264

SCHEMBL6940264

CN(C)C(c1ccccc1Cl)C1CCCCC1(O)Cc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
PDE7A Q13946 1/20 0.34
OPRL1 P41146 4/20 0.34
OPRM1 P35372 3/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
CCR5 P51681 1/20 0.34
AOC3 Q16853 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
SCHEMBL6679404 0.89 SLC6A2 (0.42) SLC6A2SLC6A4SIGMAR1NISCHPDE7A
SCHEMBL6940299 0.89 SLC6A2 (0.44) SLC6A2SLC6A4SIGMAR1NISCHOPRL1
SCHEMBL5162314 0.89 CCR5 (0.38) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5846847 0.88 CCR5 (0.37) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL6676667 0.84 SLC6A2 (0.40) SLC6A2SLC6A4SIGMAR1NISCHPDE7A
SCHEMBL6681024 0.83 SLC6A4 (0.39) SLC6A2SLC6A4MEN1KMT2ASIGMAR1
SCHEMBL6941158 0.83 SLC6A2 (0.39) SLC6A2SLC6A4NISCHOPRL1OPRM1
SCHEMBL6936746 0.83 ALDH1A1 (0.38) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL6680122 0.82 SLC6A2 (0.42) SLC6A2SLC6A4SIGMAR1NISCHOPRL1
SCHEMBL6676963 0.82 SLC6A2 (0.38) SLC6A2SLC6A4ALDH1A1MEN1KMT2A

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