SCHEMBL6878191

SCHEMBL6878191

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)Nc3cc(Cl)ccc3F)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MCHR1 Q99705 14/20 0.42
ADRA2A P08913 8/20 0.41
HRH1 P35367 4/20 0.41
HTR2B P41595 4/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADRA1A P35348 3/20 0.40
HTR1A P08908 1/20 0.40
NPY5R Q15761 1/20 0.40
LMNA P02545 1/20 0.37

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
SCHEMBL6878350 0.92 MCHR1 (0.44) TDP1L3MBTL1MCHR1ADRA2AHRH1
SCHEMBL7044478 0.92 MEN1 (0.43) TDP1L3MBTL1MCHR1ADRA2AHRH1
SCHEMBL7044477 0.92 MEN1 (0.43) TDP1L3MBTL1MCHR1ADRA2AHRH1
SCHEMBL6878361 0.92 MCHR1 (0.44) TDP1L3MBTL1MCHR1ADRA2AHRH1
SCHEMBL6873435 0.90 NPC1 (0.53) TDP1L3MBTL1MCHR1ADRA2AHRH1
SCHEMBL6463008 0.90 MCHR1 (0.44) TDP1L3MBTL1MCHR1ADRA2AHRH1
SCHEMBL6873429 0.90 NPC1 (0.53) TDP1L3MBTL1MCHR1ADRA2AHRH1
SCHEMBL6463011 0.90 MCHR1 (0.44) TDP1L3MBTL1MCHR1ADRA2AHRH1
SCHEMBL6876902 0.89 TDP1 (0.59) TDP1L3MBTL1MEN1MAPTKMT2A
SCHEMBL7043848 0.89 ALDH1A1 (0.46) MCHR1ADRA2AHRH1HTR2BMEN1

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed