SCHEMBL6874651

SCHEMBL6874651

CN(C)c1nc(N[C@H]2CC[C@@H](CNCc3ccccc3C#N)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.44
ADRA2A P08913 7/20 0.44
NPY5R Q15761 3/20 0.44
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.37
ACHE P22303 3/20 0.36
ADRA1A P35348 2/20 0.36
HTR2B P41595 2/20 0.36
HRH1 P35367 1/20 0.36
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 1/20 0.34
CTSS P25774 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
SCHEMBL6874661 1.00 MCHR1 (0.44) MCHR1ADRA2ANPY5RGAAL3MBTL1
SCHEMBL6874138 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RGAAL3MBTL1
SCHEMBL6874132 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RGAAL3MBTL1
SCHEMBL6869130 0.88 MCHR1 (0.46) MCHR1ADRA2ANPY5RGAAL3MBTL1
SCHEMBL6869135 0.88 MCHR1 (0.46) MCHR1ADRA2ANPY5RGAAL3MBTL1
SCHEMBL13792909 0.84 MCHR1 (0.60) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878940 0.84 MCHR1 (0.48) MCHR1ADRA2ANPY5RGAAL3MBTL1
SCHEMBL6457942 0.84 MCHR1 (0.48) MCHR1ADRA2ANPY5RGAAL3MBTL1
SCHEMBL6873255 0.83 MCHR1 (0.45) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6873249 0.83 MCHR1 (0.45) MCHR1ADRA2ANPY5RADRA1AHTR2B

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