SCHEMBL6936116

SCHEMBL6936116

Cc1ccccc1C(C1CCCCC1(O)Cc1ccccc1)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.39
KDM4E B2RXH2 2/20 0.36
OPRL1 P41146 7/20 0.34
OPRM1 P35372 5/20 0.34
OPRD1 P41143 5/20 0.34
OPRK1 P41145 5/20 0.34
HRH2 P25021 1/20 0.34
GPR183 P32249 1/20 0.34
LMNA P02545 1/20 0.33
SLC18A3 Q16572 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6675795 0.89 OPRM1 (0.38) SLC6A9KDM4EOPRL1OPRM1OPRD1
SCHEMBL6940299 0.87 SLC6A2 (0.44) SLC6A9OPRL1OPRM1OPRD1OPRK1
SCHEMBL6677008 0.87 SLC18A3 (0.38) KDM4EOPRL1OPRM1OPRD1OPRK1
SCHEMBL6936762 0.85 SLC6A9 (0.39) SLC6A9OPRL1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7741182 0.84 OPRL1 (0.39) SLC6A9OPRL1OPRM1OPRD1OPRK1
SCHEMBL6676425 0.82 KDM4E (0.33) KDM4EOPRL1OPRM1OPRD1OPRK1
SCHEMBL6942360 0.81 SLC6A9 (0.37) SLC6A9OPRL1OPRM1OPRK1LMNA
SCHEMBL6679373 0.81 TRPA1 (0.34) SLC6A9KDM4EOPRL1OPRM1
SCHEMBL6936962 0.81 SLC6A4 (0.40) SLC6A9OPRL1SLC6A2SLC6A4
SCHEMBL6936749 0.81 OPRM1 (0.37) SLC6A9OPRL1OPRM1OPRD1OPRK1

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