SCHEMBL6878558

SCHEMBL6878558

CN(C)c1ccnc(NC2CCC(NC(=S)Nc3ccc(Cl)cc3C(F)(F)F)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.42
ADRA2A P08913 4/20 0.42
HRH1 P35367 4/20 0.42
HTR2B P41595 3/20 0.42
ADRA1A P35348 2/20 0.42
ALDH1A1 P00352 2/20 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
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
PKM P14618 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
SCHEMBL6878555 1.00 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6880610 0.89 CCNC (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6880615 0.89 CCNC (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877944 0.88 NPC1 (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877951 0.88 NPC1 (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876054 0.87 MCHR1 (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876048 0.87 MCHR1 (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458072 0.83 MCHR1 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458078 0.83 MCHR1 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876068 0.81 ALDH1A1 (0.48) MCHR1ADRA2AHRH1HTR2BADRA1A

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