SCHEMBL6936758

SCHEMBL6936758

CN(C)C(c1ccc(C#N)cc1)C1CCCCC1(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
HSD11B1 P28845 2/20 0.38
TRPA1 O75762 2/20 0.38
KIF11 P52732 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SLC6A2 P23975 1/20 0.36
TSHR P16473 1/20 0.34
SLC6A9 P48067 2/20 0.34
CYP19A1 P11511 1/20 0.34
CYP3A4 P08684 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 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
SCHEMBL6939057 0.86 SLC6A4 (0.42) SLC6A4SLC6A3HSD11B1TRPA1LMNA
SCHEMBL5163207 0.86 OPRM1 (0.44) SLC6A4SLC6A3LMNAGAASLC6A2
SCHEMBL5160386 0.86 OPRM1 (0.44) SLC6A4SLC6A3HSD11B1LMNAGAA
SCHEMBL27486372 0.81 TRPA1 (0.53) SLC6A3HSD11B1TRPA1TSHR
SCHEMBL5159940 0.74 OPRM1 (0.40) SLC6A4SLC6A3SLC6A2TSHRSLC6A9
SCHEMBL5158611 0.74 OPRM1 (0.41) SLC6A4SLC6A3TRPA1SLC6A2SLC6A9
SCHEMBL6941375 0.72 OPRM1 (0.41) SLC6A4SLC6A3SLC6A2TSHRSLC6A9
SCHEMBL6938750 0.72 OPRM1 (0.40) SLC6A4SLC6A3SLC6A2TSHRSLC6A9
SCHEMBL6936968 0.71 KCNN4 (0.37) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL5158062 0.71 OPRM1 (0.41) SLC6A4SLC6A3SLC6A2TSHRSLC6A9

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 5 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
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