SCHEMBL6875246

SCHEMBL6875246

C=CCOc1ccccc1CNC[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.46
ADRA2A P08913 7/20 0.46
NPY5R Q15761 4/20 0.46
ALDH1A1 P00352 1/20 0.37
HTR2B P41595 3/20 0.36
ADRA1A P35348 2/20 0.36
HRH1 P35367 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 3/20 0.33
HTR1A P08908 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
SCHEMBL6875250 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RALDH1A1HTR2B
SCHEMBL6878940 0.90 MCHR1 (0.48) MCHR1ADRA2ANPY5RALDH1A1HTR2B
SCHEMBL6457942 0.90 MCHR1 (0.48) MCHR1ADRA2ANPY5RALDH1A1HTR2B
SCHEMBL6877842 0.85 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6877849 0.85 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL13792900 0.85 MCHR1 (0.63) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6868420 0.85 MCHR1 (0.49) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6868415 0.85 MCHR1 (0.49) MCHR1ADRA2ANPY5RHTR2BADRA1A
Hydrochloric Acid SCHEMBL6455434 0.84 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6874138 0.84 MCHR1 (0.46) MCHR1ADRA2ANPY5RALDH1A1HTR2B

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