SCHEMBL6205575

SCHEMBL6205575

CN(C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(N)cc1.CN(C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(N2CCC(Br)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.42
F9 P00740 1/20 0.40
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
MAOA P21397 1/20 0.37
ROCK2 O75116 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
DEGS1 O15121 1/20 0.35
HDAC1 Q13547 3/20 0.35
SLC18A3 Q16572 1/20 0.34
F10 P00742 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33

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
SCHEMBL1749247 0.96 MCHR1 (0.44) MCHR1F9HDAC8HDAC6MAOA
SCHEMBL1749595 0.84 MCHR1 (0.50) MCHR1HDAC8HDAC6MAOAHDAC3
SCHEMBL1749476 0.83 MCHR1 (0.46) MCHR1F9HDAC8HDAC6MAOA
SCHEMBL1749536 0.82 MCHR1 (0.45) MCHR1F9HDAC8HDAC6MAOA
SCHEMBL1750076 0.82 MCHR1 (0.43) MCHR1F9HDAC8HDAC6MAOA
SCHEMBL1750282 0.82 MCHR1 (0.43) MCHR1F9HDAC8HDAC6MAOA
SCHEMBL1749583 0.81 MCHR1 (0.44) MCHR1F9HDAC8HDAC6MAOA
SCHEMBL1749270 0.81 MCHR1 (0.42) MCHR1F9HDAC8HDAC6MAOA
SCHEMBL1750792 0.81 MCHR1 (0.44) MCHR1F9HDAC8HDAC6MAOA
SCHEMBL1749537 0.79 MCHR1 (0.45) MCHR1F9HDAC8HDAC6MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed