SCHEMBL5373025

SCHEMBL5373025

CN(C)C(c1ccccc1Cl)C1CCCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.48
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 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
SCHEMBL6678097 0.85 ALDH1A1 (0.44) CA1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL6681993 0.84 ALDH1A1 (0.43) CA1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL6680298 0.84 CA1 (0.37) CA1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL6677707 0.83 MAPT (0.42) CA1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL6683256 0.83 ALDH1A1 (0.43) CA1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL6678153 0.80 ALDH1A1 (0.40) CA1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL5375903 0.80 CA1 (0.55) CA1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL3486328 0.78 CA1 (0.51) CA1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL11794387 0.78 CA1 (0.54) CA1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL13254537 0.78 CA1 (0.51) CA1HPGDMAPTKDM4ESMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39530-E1 3-amino-3-arylpropan-1-ol-compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-03-27 US disclosed
EP-1289514-B1 USE OF SUBSTITUTED 1-AMINO-5-PHENYLPENTANE-3-OL AND/OR 1-AMINO-6-PHENYLHEXANE-3-OL COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-11-03 EP disclosed
EP-1043306-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and use GRUENENTHAL GMBH (DE) 2004-03-31 EP disclosed
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
US-6288278-B1 BENZENE DERIVED AMINO ALCOHOLS AS DRUGS GRUENENTHAL GMBH (DE) 2001-09-11 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
EP-1043306-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and use Grünenthal GmbH (DE) 2000-10-11 EP disclosed