SCHEMBL6939344

SCHEMBL6939344

CN(C)c1ccc(C2(O)CCCCC2C(c2ccccc2)N(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.45
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.35
OPRM1 P35372 10/20 0.34
SLC6A4 P31645 6/20 0.34
SLC6A2 P23975 5/20 0.34
OPRD1 P41143 4/20 0.34
OPRK1 P41145 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDR P35968 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC22A1 O15245 2/20 0.32
SOAT2 O75908 1/20 0.32
ACAT1 P24752 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
SCHEMBL5159940 0.91 OPRM1 (0.40) OPRL1ALDH1A1OPRM1SLC6A4SLC6A2
SCHEMBL6941375 0.89 OPRM1 (0.41) OPRL1ALDH1A1OPRM1SLC6A4SLC6A2
SCHEMBL6938750 0.89 OPRM1 (0.40) OPRL1ALDH1A1OPRM1SLC6A4SLC6A2
SCHEMBL5158611 0.88 OPRM1 (0.41) OPRL1OPRM1SLC6A4SLC6A2OPRD1
SCHEMBL6937026 0.88 OPRM1 (0.40) OPRL1ALDH1A1OPRM1SLC6A4SLC6A2
SCHEMBL5158062 0.88 OPRM1 (0.41) OPRL1ALDH1A1OPRM1SLC6A4SLC6A2
SCHEMBL6934471 0.86 OPRM1 (0.44) OPRL1OPRM1SLC6A4SLC6A2OPRD1
SCHEMBL6941657 0.86 OPRM1 (0.36) OPRM1OPRD1OPRK1TSHRCHRM2
SCHEMBL5163207 0.85 OPRM1 (0.44) OPRL1OPRM1SLC6A4SLC6A2OPRD1
SCHEMBL6938734 0.83 SLC6A3 (0.46) SLC6A4SLC6A2SLC6A3

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