SCHEMBL8120271

SCHEMBL8120271

N#CC(CCOC1CCCCO1)c1cccc(Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
P2RX3 P56373 2/20 0.31

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
SCHEMBL7676368 0.79 MEN1 (0.38) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL4630703 0.79 SLC6A3 (0.45) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL3466586 0.76 L3MBTL1 (0.38) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL13316632 0.74 KDM4C (0.36) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL5874214 0.74 KDM4C (0.45) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL4258149 0.74 L3MBTL1 (0.44) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL8350985 0.73 KDM4C (0.49) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL4631262 0.72 SLC6A3 (0.43) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL5199433 0.72 KDM4C (0.38) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL7674634 0.72 L3MBTL1 (0.40) KDM4CMEN1KMT2AL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559538-B1 Quaternary salts of 4-substituted piperidines, their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2000-05-17 EP disclosed
US-5773620-A Quaternary ammonium salts of aromatic amine compounds, their preparation and pharmaceutical compositions in which they are present ELF SANOFI (FR) 1998-06-30 US disclosed
US-5674881-A NEUROKININ RECEPTOR ANTAGONISTS ELF SANOFI (FR) 1997-10-07 US disclosed
WO-1993018002-A1 QUATERNARY SALTS OF 4-SUBSTITUTED PIPERIDINES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-09-16 WO disclosed
EP-0559538-A1 Quaternary salts of 4-substituted piperidines, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-09-08 EP disclosed