SCHEMBL6943357

SCHEMBL6943357

CN(C)C(c1cccc(Cl)c1)C1CCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 3/20 0.42
OPRM1 P35372 5/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 2/20 0.41
OPRD1 P41143 4/20 0.39
OPRK1 P41145 4/20 0.39
OPRL1 P41146 4/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL6676417 0.85 CA1 (0.43) MAPTKDM4EHPGDSMN1; SMN2CA1
SCHEMBL6676360 0.84 OPRL1 (0.44) MAPTKDM4EHPGDSMN1; SMN2CA1
SCHEMBL6942334 0.83 MAPT (0.50) MAPTKDM4EHPGDSMN1; SMN2CA1
SCHEMBL5375903 0.83 CA1 (0.55) MAPTKDM4EHPGDSMN1; SMN2CA1
SCHEMBL6940261 0.83 SLC6A3 (0.44) MAPTKDM4EHPGDSMN1; SMN2CA1
SCHEMBL6676434 0.82 ALDH1A1 (0.49) CA1OPRM1SLC6A4SLC6A3KDR
SCHEMBL11794387 0.82 CA1 (0.54) MAPTKDM4EHPGDSMN1; SMN2CA1
SCHEMBL6939049 0.80 ALDH1A1 (0.45) MAPTKDM4EHPGDSMN1; SMN2CA1
SCHEMBL6937407 0.79 MAPT (0.60) MAPTKDM4EHPGDSMN1; SMN2CA1
SCHEMBL11810654 0.77 ALDH1A1 (0.43) MAPTKDM4EHPGDSMN1; SMN2CA1

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