SCHEMBL6937407

SCHEMBL6937407

CN(C)C(c1ccc2ccccc2c1)C1CCCCC1=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
CA1 P00915 2/20 0.47
ALDH1A1 P00352 2/20 0.46
SLC6A3 Q01959 3/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 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
SCHEMBL5375903 0.83 CA1 (0.55) MAPTCA1ALDH1A1KDM4EHPGD
SCHEMBL11794387 0.82 CA1 (0.54) MAPTCA1ALDH1A1KDM4EHPGD
SCHEMBL6939049 0.80 ALDH1A1 (0.45) MAPTCA1ALDH1A1SLC6A3SLC6A4
SCHEMBL6676417 0.80 CA1 (0.43) MAPTCA1ALDH1A1SLC6A3SLC6A4
SCHEMBL6940261 0.80 SLC6A3 (0.44) MAPTCA1ALDH1A1SLC6A3SLC6A2
SCHEMBL13254544 0.80 MAPT (0.92) MAPTCA1ALDH1A1SLC6A3SLC6A2
SCHEMBL30031079 0.80 MAPT (0.92) MAPTCA1ALDH1A1SLC6A3SLC6A2
SCHEMBL3485391 0.80 MAPT (0.92) MAPTCA1ALDH1A1SLC6A3SLC6A2
SCHEMBL14292322 0.80 MAPT (0.92) MAPTCA1ALDH1A1SLC6A3SLC6A2
SCHEMBL6676434 0.80 ALDH1A1 (0.49) CA1ALDH1A1SLC6A3SLC6A2SLC6A4

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