SCHEMBL6942334

SCHEMBL6942334

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.44
CA1 P00915 3/20 0.40
BCL2A1 Q16548 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
TACR1 P25103 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6934444 0.85 ALDH1A1 (0.44) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL6938929 0.85 MAPT (0.50) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL5375903 0.85 CA1 (0.55) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL6940261 0.85 SLC6A3 (0.44) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL11794387 0.84 CA1 (0.54) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL6943357 0.83 MAPT (0.46) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL6939750 0.82 TSHR (0.42) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL6940543 0.82 ALDH1A1 (0.41) ALDH1A1CA1TACR1
SCHEMBL10777122 0.79 ALDH1A1 (0.49) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL6937407 0.78 MAPT (0.60) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1

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