SCHEMBL5024926

SCHEMBL5024926

NCC1CCCN1C(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 2/20 0.46
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA5 P30532 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
HPGD P15428 1/20 0.45
CA2 P00918 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL13965438 0.95 HCRTR1 (0.51) SPHK2L3MBTL1HCRTR1HCRTR2HPGD
SCHEMBL4931440 0.86 SPHK2 (0.64) SPHK2L3MBTL1POLBHCRTR1HCRTR2
SCHEMBL11447207 0.86 SPHK2 (0.64) SPHK2L3MBTL1POLBHCRTR1HCRTR2
SCHEMBL17888415 0.85 GAA (0.49) POLBHPGDALDH1A1KDM4E
SCHEMBL968549 0.85 HPGD (0.49) SPHK2L3MBTL1POLBCHRNB2CHRNA7
SCHEMBL968551 0.85 HPGD (0.49) SPHK2L3MBTL1POLBCHRNB2CHRNA7
SCHEMBL12947819 0.85 GAA (0.49) POLBHPGDALDH1A1KDM4E
SCHEMBL8253033 0.84 NPC1 (0.54) SPHK2L3MBTL1CHRNB2CHRNA5CHRNA7
SCHEMBL8253035 0.84 NPC1 (0.54) SPHK2L3MBTL1CHRNB2CHRNA5CHRNA7
SCHEMBL4932563 0.84 SPHK2 (0.50) SPHK2L3MBTL1POLBHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 EP disclosed