SCHEMBL6936755

SCHEMBL6936755

COc1cccc(CC2(O)CCCCC2C(c2cccc(OC)c2)N(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.47
SLC6A4 P31645 9/20 0.47
OPRM1 P35372 6/20 0.43
SLC22A1 O15245 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
CCR5 P51681 1/20 0.39
POLB P06746 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL5164176 0.95 SLC6A2 (0.44) SLC6A2SLC6A4OPRM1SLC22A1CHRM2
SCHEMBL6934438 0.88 OPRK1 (0.40) SLC6A2SLC6A4OPRM1SLC22A1CHRM2
SCHEMBL6676441 0.87 SLC6A2 (0.45) SLC6A2SLC6A4OPRM1SLC22A1CHRM2
SCHEMBL6939728 0.83 ALDH1A1 (0.40) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6936977 0.81 SLC6A2 (0.40) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6936762 0.81 SLC6A9 (0.39) SLC6A4OPRM1CHRM2CHRM1OPRD1
SCHEMBL5160201 0.80 CCR5 (0.41) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6942930 0.80 SLC6A2 (0.45) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5845800 0.80 SLC6A4 (0.42) SLC6A2SLC6A4OPRM1MEN1KMT2A
Hydrochloric Acid SCHEMBL7741182 0.80 OPRL1 (0.39) SLC6A4OPRM1CHRM2CHRM1OPRD1

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