SCHEMBL6876575

SCHEMBL6876575

CN(C)c1nc(N[C@H]2CC[C@@H](CNCc3cccc(Cl)c3)CC2)nc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.43
ADRA2A P08913 3/20 0.43
CXCR4 P61073 2/20 0.42
NPY5R Q15761 1/20 0.41
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
PDE4B Q07343 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6876580 1.00 MCHR1 (0.43) MCHR1ADRA2ACXCR4NPY5RADRA1A
SCHEMBL6874290 0.91 MCHR1 (0.49) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6874292 0.91 MCHR1 (0.49) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6875338 0.90 CTSS (0.43) MCHR1ADRA2ACXCR4NPY5RADRA1A
SCHEMBL6875332 0.90 CTSS (0.43) MCHR1ADRA2ACXCR4NPY5RADRA1A
SCHEMBL6879811 0.90 L3MBTL1 (0.47) MCHR1ADRA2ACXCR4NPY5RADRA1A
SCHEMBL6879806 0.90 L3MBTL1 (0.47) MCHR1ADRA2ACXCR4NPY5RADRA1A
SCHEMBL6871900 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6871904 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6873255 0.87 MCHR1 (0.45) MCHR1ADRA2ANPY5RADRA1AHRH1

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