SCHEMBL4628787

SCHEMBL4628787

CNC(=NCCCCc1ccccc1)NC(=O)c1ccc(C)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 17/20 0.72
SCN5A Q14524 16/20 0.72
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL4629432 0.84 SCN2A (1.00) SCN2ASCN5A
SCHEMBL4627593 0.83 SCN2A (1.00) SCN2ASCN5A
SCHEMBL4628968 0.80 SCN2A (1.00) SCN2ASCN5A
SCHEMBL4628781 0.78 SCN2A (1.00) SCN2ASCN5ANPC1RAB9AMEN1
SCHEMBL4628782 0.78 SCN2A (1.00) SCN2ASCN5ANPC1RAB9AMEN1
SCHEMBL11160951 0.77 SCN2A (0.47) SCN2ASCN5A
SCHEMBL10094807 0.75 HDAC1 (0.73) SCN2ASCN5ANPC1RAB9AHDAC1
SCHEMBL4629436 0.74 SCN2A (1.00) SCN2ASCN5ANPC1RAB9A
SCHEMBL4629470 0.74 SCN5A (0.83) SCN2ASCN5A
SCHEMBL4629427 0.72 SCN5A (0.70) SCN2ASCN5ANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO disclosed