SCHEMBL6880209

SCHEMBL6880209

CCCc1ccccc1NC(=O)NCC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.40
ADRA2A P08913 6/20 0.40
ADRA1A P35348 2/20 0.40
HTR2B P41595 2/20 0.40
HRH1 P35367 1/20 0.40
HTR1A P08908 1/20 0.38
NPY5R Q15761 3/20 0.38
KMT2A Q03164 2/20 0.36
PARP1 P09874 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 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
SCHEMBL6880206 1.00 MCHR1 (0.40) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6872878 0.94 KMT2A (0.41) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6872880 0.94 KMT2A (0.41) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875451 0.90 KMT2A (0.47) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875445 0.90 KMT2A (0.47) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878375 0.89 MCHR1 (0.44) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878369 0.89 MCHR1 (0.44) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876806 0.88 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876812 0.88 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878076 0.87 MCHR1 (0.41) MCHR1ADRA2AADRA1AHTR2BHRH1

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