SCHEMBL6942328

SCHEMBL6942328

COc1cccc(CC2(O)CCCCC2Cc2ccccc2N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.47
SLC6A2 P23975 12/20 0.47
OPRM1 P35372 9/20 0.47
SLC22A1 O15245 3/20 0.47
OPRD1 P41143 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRK1 P41145 1/20 0.47
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6939736 0.89 SLC6A4 (0.40) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6936768 0.86 SLC6A9 (0.39) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL6937427 0.85 TRPA1 (0.38) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL5845804 0.85 KCNQ2 (0.39) SLC6A4SLC6A2OPRM1OPRD1MEN1
Hydrochloric Acid SCHEMBL7741185 0.85 OPRL1 (0.39) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
Hydrochloric Acid SCHEMBL5846229 0.84 KCNQ2 (0.39) SLC6A4SLC6A2OPRM1OPRD1MEN1
SCHEMBL5847461 0.83 SLC6A4 (0.39) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL22579672 0.83 SLC6A2 (0.65) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
Hydrochloric Acid SCHEMBL5845100 0.82 SLC6A4 (0.39) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL5845144 0.81 TRPA1 (0.35) SLC6A4SLC6A2OPRM1SLC22A1OPRD1

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