SCHEMBL6940261

SCHEMBL6940261

CN(C)C(c1ccc(Cl)c(Cl)c1)C1CCCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.44
ALDH1A1 P00352 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
LMNA P02545 1/20 0.39
CA1 P00915 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6942334 0.85 MAPT (0.50) SLC6A3ALDH1A1SLC6A2SLC6A4LMNA
SCHEMBL6943357 0.83 MAPT (0.46) SLC6A3ALDH1A1SLC6A2SLC6A4LMNA
SCHEMBL6937407 0.80 MAPT (0.60) SLC6A3ALDH1A1SLC6A2SLC6A4LMNA
SCHEMBL6938929 0.79 MAPT (0.50) ALDH1A1LMNACA1KDM4EMAPT
SCHEMBL6934444 0.79 ALDH1A1 (0.44) ALDH1A1LMNACA1KDM4EMAPT
SCHEMBL5375903 0.79 CA1 (0.55) ALDH1A1LMNACA1KDM4EMAPT
SCHEMBL6676417 0.78 CA1 (0.43) SLC6A3ALDH1A1SLC6A4LMNACA1
SCHEMBL6676360 0.77 OPRL1 (0.44) SLC6A3ALDH1A1SLC6A4LMNACA1
SCHEMBL11794387 0.77 CA1 (0.54) ALDH1A1LMNACA1KDM4EMAPT
SCHEMBL5373025 0.77 CA1 (0.48) ALDH1A1LMNACA1KDM4EMAPT

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 3 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 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