SCHEMBL6937438

SCHEMBL6937438

CN(C)C(c1ccc(F)cc1)C1CCCCC1(O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 1/20 0.38
TACR1 P25103 2/20 0.38
OPRL1 P41146 2/20 0.37
EPHX1 P07099 3/20 0.36
OPRM1 P35372 1/20 0.36
STS P08842 1/20 0.35
TRPA1 O75762 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL5162722 0.92 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TACR1OPRL1
SCHEMBL6939785 0.91 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3OPRL1EPHX1
Hydrochloric Acid SCHEMBL5845093 0.91 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TACR1OPRL1
SCHEMBL5846576 0.86 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3OPRL1EPHX1
SCHEMBL6938861 0.86 GRIN2B (0.39) OPRL1TRPA1GRIN2B
Hydrochloric Acid SCHEMBL5845587 0.85 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3OPRL1EPHX1
SCHEMBL6934438 0.84 OPRK1 (0.40) SLC6A2SLC6A4OPRM1GRIN2B
SCHEMBL6936977 0.84 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3TACR1OPRL1
SCHEMBL5845811 0.83 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3OPRL1EPHX1
SCHEMBL5160201 0.83 CCR5 (0.41) SLC6A2SLC6A4SLC6A3TACR1OPRL1

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