SCHEMBL6877577

SCHEMBL6877577

CN(C)c1nc(NC2CCC(CN(CC3c4ccccc4-c4ccccc43)C(=O)O)CC2)nc2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.38
ADRA2A P08913 15/20 0.38
NPY5R Q15761 4/20 0.36
HRH1 P35367 3/20 0.36
HTR2B P41595 3/20 0.36
ADRA1A P35348 2/20 0.36
HTR1A P08908 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
SCHEMBL6877568 1.00 MCHR1 (0.38) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6876317 0.87 MCHR1 (0.38) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6876313 0.87 MCHR1 (0.38) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6866914 0.87 HDAC1 (0.42) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6866911 0.87 HDAC1 (0.42) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6875769 0.82 L3MBTL1 (0.45) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6875777 0.82 L3MBTL1 (0.45) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6877156 0.81 MCHR1 (0.36) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6877151 0.81 MCHR1 (0.36) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6879134 0.81 EHMT2 (0.38) MCHR1ADRA2ANPY5RHRH1HTR2B

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