SCHEMBL6937445

SCHEMBL6937445

COc1ccc(C2(O)CCCCC2C(c2ccccc2)N(C)C)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC22A1 O15245 2/20 0.40
OPRM1 P35372 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAOA P21397 1/20 0.37

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
SCHEMBL6934471 0.85 OPRM1 (0.44) SLC6A2SLC6A4SLC22A1OPRM1MEN1
SCHEMBL5160480 0.85 SLC6A4 (0.58) SLC6A2SLC6A4SLC22A1OPRM1MEN1
SCHEMBL5159940 0.84 OPRM1 (0.40) SLC6A2SLC6A4SLC22A1OPRM1MEN1
SCHEMBL6938734 0.83 SLC6A3 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL6939493 0.83 SLC6A2 (0.41) MAPTSLC6A2SLC6A4SLC22A1OPRM1
SCHEMBL6936278 0.82 SLC6A3 (0.44) SLC6A2SLC6A4OPRM1SLC6A3
Hydrochloric Acid SCHEMBL7739133 0.82 SLC6A2 (0.41) MAPTSLC6A2SLC6A4SLC22A1OPRM1
SCHEMBL6938750 0.82 OPRM1 (0.40) SLC6A2SLC6A4SLC22A1OPRM1MEN1
SCHEMBL6941375 0.82 OPRM1 (0.41) SLC6A2SLC6A4SLC22A1OPRM1MEN1
SCHEMBL5163165 0.81 OPRM1 (0.44) SLC6A2SLC6A4SLC22A1OPRM1MEN1

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