SCHEMBL6937026

SCHEMBL6937026

CN(C)C(c1ccccc1)C1CCCCC1(O)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.40
OPRD1 P41143 7/20 0.40
OPRK1 P41145 7/20 0.40
OPRL1 P41146 7/20 0.40
SLC6A4 P31645 4/20 0.34
SLC6A2 P23975 3/20 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
CCR5 P51681 1/20 0.33
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SLC22A1 O15245 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 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) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL6941375 0.89 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL6938750 0.89 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL6939344 0.88 OPRL1 (0.45) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL5158611 0.88 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL5158062 0.88 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL6941657 0.86 OPRM1 (0.36) OPRM1OPRD1OPRK1TSHRCHRM2
SCHEMBL6934471 0.86 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL5163207 0.85 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1SLC6A4
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