SCHEMBL6879007

SCHEMBL6879007

CCOc1cc(OCC)c(OCC)cc1CNC[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.43
ADRA2A P08913 11/20 0.43
NPY5R Q15761 4/20 0.43
HTR2B P41595 6/20 0.37
HRH1 P35367 5/20 0.37
ADRA1A P35348 4/20 0.37
HTR1A P08908 1/20 0.37
EHMT2 Q96KQ7 1/20 0.34
DRD2 P14416 1/20 0.31

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
SCHEMBL6872902 0.90 MCHR1 (0.46) MCHR1ADRA2ANPY5RHTR2BHRH1
SCHEMBL6457617 0.90 MCHR1 (0.46) MCHR1ADRA2ANPY5RHTR2BHRH1
SCHEMBL6460183 0.90 MCHR1 (0.43) MCHR1ADRA2ANPY5RHTR2BHRH1
SCHEMBL6878734 0.90 MCHR1 (0.43) MCHR1ADRA2ANPY5RHTR2BHRH1
SCHEMBL6878137 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RHTR2BHRH1
SCHEMBL6878131 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RHTR2BHRH1
SCHEMBL6876733 0.89 MCHR1 (0.51) MCHR1ADRA2ANPY5RHTR2BHRH1
SCHEMBL6876726 0.89 MCHR1 (0.51) MCHR1ADRA2ANPY5RHTR2BHRH1
SCHEMBL6878940 0.89 MCHR1 (0.48) MCHR1ADRA2ANPY5RHTR2BHRH1
SCHEMBL6457942 0.89 MCHR1 (0.48) MCHR1ADRA2ANPY5RHTR2BHRH1

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