SCHEMBL6937453

SCHEMBL6937453

CN(C)C(c1ccccc1)C1CCCCC1(O)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.46
SLC6A3 Q01959 10/20 0.46
SLC6A2 P23975 9/20 0.41
OPRM1 P35372 4/20 0.35
KDR P35968 1/20 0.35
METAP2 P50579 2/20 0.33
MEN1 O00255 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 1/20 0.32
SLC22A1 O15245 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL7732583 0.85 OPRM1 (0.38) SLC6A4SLC6A3SLC6A2OPRM1KDR
SCHEMBL5161138 0.84 OPRM1 (0.42) SLC6A4SLC6A3SLC6A2OPRM1KDR
SCHEMBL6937006 0.81 MEN1 (0.34) SLC6A4SLC6A3SLC6A2OPRM1KDR
SCHEMBL5159940 0.81 OPRM1 (0.40) SLC6A4SLC6A3SLC6A2OPRM1KDR
SCHEMBL6939122 0.79 TACR1 (0.35) SLC6A4SLC6A3SLC6A2OPRM1KDR
SCHEMBL6938734 0.79 SLC6A3 (0.46) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL6941375 0.77 OPRM1 (0.41) SLC6A4SLC6A3SLC6A2OPRM1KDR
SCHEMBL6938750 0.77 OPRM1 (0.40) SLC6A4SLC6A3SLC6A2OPRM1KDR
SCHEMBL5163165 0.77 OPRM1 (0.44) SLC6A4SLC6A3SLC6A2OPRM1KDR
SCHEMBL6937411 0.77 OPRM1 (0.56) SLC6A4SLC6A3SLC6A2OPRM1KDR

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