SCHEMBL6936962

SCHEMBL6936962

CN(C)C(c1ccc(Cl)cc1)C1CCCCC1(O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A3 Q01959 4/20 0.37
SLC6A9 P48067 1/20 0.36
AGER Q15109 1/20 0.35
UTS2R Q9UKP6 2/20 0.34
OPRL1 P41146 1/20 0.34
CCR5 P51681 1/20 0.34
CCR3 P51677 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 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
SCHEMBL5846308 0.95 CCR5 (0.38) SLC6A4SLC6A2SLC6A3SLC6A9OPRL1
Hydrochloric Acid SCHEMBL5847559 0.94 CCR5 (0.37) SLC6A4SLC6A2SLC6A3SLC6A9OPRL1
SCHEMBL6936762 0.92 SLC6A9 (0.39) SLC6A4SLC6A3SLC6A9OPRL1
Hydrochloric Acid SCHEMBL7741182 0.91 OPRL1 (0.39) SLC6A4SLC6A3SLC6A9OPRL1
SCHEMBL6936749 0.89 OPRM1 (0.37) SLC6A4SLC6A2SLC6A3SLC6A9OPRL1
SCHEMBL6938861 0.89 GRIN2B (0.39) SLC6A9AGEROPRL1
SCHEMBL6942930 0.88 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3OPRL1CCR5
SCHEMBL5845800 0.88 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3OPRL1CCR5
SCHEMBL6934468 0.88 SLC6A3 (0.42) SLC6A4SLC6A2SLC6A3SLC6A9CCR5
Hydrochloric Acid SCHEMBL5846073 0.87 SLC6A2 (0.42) SLC6A4SLC6A2SLC6A3CCR5

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