SCHEMBL6940376

SCHEMBL6940376

CN(C)C(c1cccc(Oc2ccccc2)c1)C1CCCCC1(O)CCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
FFAR1 O14842 1/20 0.36
OPRM1 P35372 5/20 0.36
OPRL1 P41146 3/20 0.36
PTGS1 P23219 1/20 0.36
KDR P35968 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PTGES O14684 1/20 0.35
FKBP1A P62942 1/20 0.35
ALOX5 P09917 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CETP P11597 1/20 0.34
SLC22A1 O15245 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL6676441 0.92 SLC6A2 (0.45) SLC6A4SLC6A2OPRM1OPRL1SLC6A3
SCHEMBL5158078 0.88 OPRM1 (0.40) OPRM1OPRL1OPRD1OPRK1
SCHEMBL6936977 0.83 SLC6A2 (0.40) SLC6A4SLC6A2FFAR1OPRM1OPRL1
SCHEMBL6940292 0.82 SLC6A4 (0.34) SLC6A4SLC6A2OPRM1PTGS1KDR
SCHEMBL6938762 0.82 SLC6A3 (0.37) SLC6A4SLC6A2OPRM1OPRL1SLC6A3
SCHEMBL6681587 0.82 SLC6A4 (0.41) SLC6A4SLC6A2OPRM1KDRSLC6A3
SCHEMBL5159886 0.81 OPRM1 (0.42) OPRM1OPRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7737764 0.80 OPRM1 (0.41) OPRM1OPRL1OPRD1OPRK1
SCHEMBL7429939 0.80 OPRK1 (0.34) SLC6A4SLC6A2FFAR1OPRM1PTGS1
SCHEMBL6936755 0.79 SLC6A2 (0.47) SLC6A4SLC6A2OPRM1MEN1KMT2A

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