SCHEMBL6936768

SCHEMBL6936768

CN(C)c1ccccc1CC1CCCCC1(O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.39
TRPA1 O75762 1/20 0.37
OPRL1 P41146 1/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
OPRM1 P35372 4/20 0.36
LMNA P02545 2/20 0.35
SLC18A3 Q16572 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
MAOA P21397 1/20 0.33
SLC22A1 O15245 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 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
Hydrochloric Acid SCHEMBL7741185 0.99 OPRL1 (0.39) SLC6A9TRPA1OPRL1SLC6A2SLC6A4
SCHEMBL5846320 0.91 SLC6A4 (0.36) SLC6A9TRPA1SLC6A2SLC6A4OPRM1
SCHEMBL6937424 0.91 TRPA1 (0.44) SLC6A9TRPA1SLC6A2SLC6A4OPRM1
Hydrochloric Acid SCHEMBL5847568 0.90 SLC6A4 (0.36) SLC6A9TRPA1SLC6A2SLC6A4OPRM1
SCHEMBL6939736 0.89 SLC6A4 (0.40) OPRL1SLC6A2SLC6A4OPRM1LMNA
SCHEMBL6678803 0.88 OPRM1 (0.40) TRPA1OPRL1SLC6A2SLC6A4OPRM1
SCHEMBL6937427 0.88 TRPA1 (0.38) TRPA1OPRL1SLC6A2SLC6A4OPRM1
SCHEMBL5845804 0.88 KCNQ2 (0.39) TRPA1SLC6A2SLC6A4OPRM1LMNA
Hydrochloric Acid SCHEMBL5846229 0.87 KCNQ2 (0.39) TRPA1SLC6A2SLC6A4OPRM1LMNA
SCHEMBL6942328 0.86 SLC6A4 (0.47) SLC6A2SLC6A4OPRM1LMNAMEN1

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 7 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
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP disclosed