SCHEMBL6874290

SCHEMBL6874290

CN(C)c1nc(N[C@H]2CC[C@@H](CNCc3cc(Cl)cc(Cl)c3)CC2)nc2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.49
ADRA2A P08913 8/20 0.40
HTR2B P41595 4/20 0.40
ADRA1A P35348 3/20 0.40
HRH1 P35367 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 2/20 0.39
NPY5R Q15761 3/20 0.39
HTR1A P08908 1/20 0.38
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6874292 1.00 MCHR1 (0.49) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6879811 0.91 L3MBTL1 (0.47) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6879806 0.91 L3MBTL1 (0.47) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6876575 0.91 MCHR1 (0.43) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6876580 0.91 MCHR1 (0.43) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6461488 0.88 MCHR1 (0.41) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6461483 0.88 MCHR1 (0.41) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6879122 0.87 MCHR1 (0.42) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6463847 0.87 MCHR1 (0.42) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6874002 0.86 MCHR1 (0.40) MCHR1ADRA2AHTR2BADRA1AHRH1

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