SCHEMBL6940292

SCHEMBL6940292

CN(C)C(c1cccc(Oc2ccccc2)c1)C1CCCCC1(O)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.34
FAAH O00519 2/20 0.34
SLC6A2 P23975 1/20 0.34
FDFT1 P37268 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLI1 P08151 1/20 0.33
GLI2 P10070 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 1/20 0.33
OPRM1 P35372 1/20 0.32
KDR P35968 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CETP P11597 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32

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
SCHEMBL6937455 0.89 PSEN1 (0.37) PSEN1PSEN2SPPL2AAPH1BNCSTN
SCHEMBL6936977 0.86 SLC6A2 (0.40) SLC6A4SLC6A2MAPTOPRM1SLC6A3
SCHEMBL6939083 0.85 SLC6A2 (0.41) SLC6A4SLC6A2OPRM1KDRSLC6A3
SCHEMBL6940376 0.82 SLC6A4 (0.36) SLC6A4SLC6A2MEN1KMT2APTGS1
SCHEMBL7429939 0.81 OPRK1 (0.34) SLC6A4SLC6A2PTGS1OPRM1KDR
SCHEMBL6939734 0.81 SLC6A3 (0.35) SLC6A4SLC6A2SLC6A3
SCHEMBL6936762 0.79 SLC6A9 (0.39) SLC6A4OPRM1KDRSLC6A3
SCHEMBL6936755 0.79 SLC6A2 (0.47) SLC6A4SLC6A2MEN1KMT2AOPRM1
SCHEMBL6939728 0.79 ALDH1A1 (0.40) SLC6A4SLC6A2OPRM1SLC6A3
SCHEMBL5164176 0.78 SLC6A2 (0.44) SLC6A4SLC6A2MEN1KMT2AOPRM1

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