SCHEMBL7044477

SCHEMBL7044477

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)Nc3cc(Cl)ccc3Cl)CC2)nc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MCHR1 Q99705 8/20 0.42
ADRA2A P08913 5/20 0.42
HRH1 P35367 3/20 0.42
HTR2B P41595 3/20 0.42
ADRA1A P35348 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
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
SCHEMBL7044478 1.00 MEN1 (0.43) MEN1KMT2ANPC1CYP1A2MAPT
SCHEMBL6873429 0.93 NPC1 (0.53) MEN1KMT2ANPC1CYP1A2MAPT
SCHEMBL6873435 0.93 NPC1 (0.53) MEN1KMT2ANPC1CYP1A2MAPT
SCHEMBL6878361 0.93 MCHR1 (0.44) MEN1KMT2ANPC1CYP1A2MAPT
SCHEMBL6878350 0.93 MCHR1 (0.44) MEN1KMT2ANPC1CYP1A2MAPT
SCHEMBL6878191 0.92 TDP1 (0.42) MEN1KMT2ANPC1CYP1A2MAPT
SCHEMBL6463008 0.91 MCHR1 (0.44) MEN1KMT2ANPC1CYP1A2MAPT
SCHEMBL6463011 0.91 MCHR1 (0.44) MEN1KMT2ANPC1CYP1A2MAPT
SCHEMBL6875821 0.90 MCHR1 (0.41) MEN1KMT2ANPC1CYP1A2MAPT
SCHEMBL6875825 0.90 MCHR1 (0.41) MEN1KMT2ANPC1CYP1A2MAPT

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