SCHEMBL6868797

SCHEMBL6868797

CN(C)c1nc(NC2CCC(CNC(=O)/C=C/c3ccccc3)CC2)nc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.42
ADRA2A P08913 3/20 0.42
ADRA1A P35348 2/20 0.42
HTR2B P41595 2/20 0.42
HRH1 P35367 1/20 0.42
NPY5R Q15761 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR1A P08908 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
BCHE P06276 1/20 0.39

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
SCHEMBL6868800 1.00 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868791 1.00 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6465514 0.88 HPGD (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6465511 0.88 HPGD (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6465515 0.88 HPGD (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876684 0.88 MCHR1 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876679 0.88 MCHR1 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876687 0.88 MCHR1 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878415 0.88 MCHR1 (0.44) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878408 0.88 MCHR1 (0.44) 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