SCHEMBL6878137

SCHEMBL6878137

COc1cc(OC)c(OC)cc1CNCC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.44
ADRA2A P08913 5/20 0.44
NPY5R Q15761 3/20 0.44
EHMT2 Q96KQ7 12/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRA1A P35348 2/20 0.36
HTR2B P41595 2/20 0.36
HRH1 P35367 1/20 0.36
HTR1A P08908 1/20 0.36
APP P05067 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL6878131 1.00 MCHR1 (0.44) MCHR1ADRA2ANPY5REHMT2KDM4E
SCHEMBL6874307 0.94 MCHR1 (0.46) MCHR1ADRA2ANPY5REHMT2KDM4E
SCHEMBL6877946 0.92 MCHR1 (0.46) MCHR1ADRA2ANPY5REHMT2MEN1
SCHEMBL6877941 0.92 MCHR1 (0.46) MCHR1ADRA2ANPY5REHMT2MEN1
SCHEMBL6872909 0.92 MCHR1 (0.45) MCHR1ADRA2ANPY5REHMT2ADRA1A
SCHEMBL6872913 0.92 MCHR1 (0.45) MCHR1ADRA2ANPY5REHMT2ADRA1A
SCHEMBL6877474 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5REHMT2ADRA1A
SCHEMBL6457972 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RKDM4EKMT2A
SCHEMBL6877468 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5REHMT2ADRA1A
SCHEMBL6873945 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RKDM4EKMT2A

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