SCHEMBL6879138

SCHEMBL6879138

CN(C)c1nc(NC2CCC(CN(CCOCc3ccccc3)C(=O)O)CC2)nc2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.38
MCHR1 Q99705 12/20 0.36
ADRA2A P08913 11/20 0.36
NPY5R Q15761 4/20 0.35
HTR1A P08908 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
DRD2 P14416 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 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
SCHEMBL6879134 1.00 EHMT2 (0.38) EHMT2MCHR1ADRA2ANPY5RHTR1A
SCHEMBL6866911 0.88 HDAC1 (0.42) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6866914 0.88 HDAC1 (0.42) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6875935 0.87 EHMT2 (0.39) EHMT2MCHR1ADRA2ANPY5RHTR1A
SCHEMBL6875943 0.87 EHMT2 (0.39) EHMT2MCHR1ADRA2ANPY5RHTR1A
SCHEMBL6866924 0.86 MCHR1 (0.36) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6866932 0.86 MCHR1 (0.36) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6460210 0.81 EHMT2 (0.44) EHMT2MCHR1ADRA2ANPY5RHTR1A
SCHEMBL6460216 0.81 EHMT2 (0.44) EHMT2MCHR1ADRA2ANPY5RHTR1A
SCHEMBL6877577 0.81 MCHR1 (0.38) MCHR1ADRA2ANPY5RHTR1AADRA1A

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