SCHEMBL6868415

SCHEMBL6868415

CN(C)c1nc(N[C@H]2CC[C@@H](CNCc3ccccc3OC(F)F)CC2)nc2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.49
ADRA2A P08913 9/20 0.49
NPY5R Q15761 4/20 0.49
ADRA1A P35348 2/20 0.36
HTR2B P41595 2/20 0.36
HRH1 P35367 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 3/20 0.34
HTR1A P08908 1/20 0.34
TACR1 P25103 1/20 0.34
EPHX2 P34913 1/20 0.33
EHMT2 Q96KQ7 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
SCHEMBL6868420 1.00 MCHR1 (0.49) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877842 0.88 MCHR1 (0.60) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877849 0.88 MCHR1 (0.60) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6457942 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878940 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
Hydrochloric Acid SCHEMBL6455434 0.87 MCHR1 (0.60) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6874138 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6874132 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6875246 0.85 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6875250 0.85 MCHR1 (0.46) 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