SCHEMBL6878008

SCHEMBL6878008

CN(C)c1nc(NC2CCC(CNC(=O)c3ccc(I)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.54
ADRA2A P08913 7/20 0.54
HTR2B P41595 5/20 0.54
HRH1 P35367 4/20 0.54
ADRA1A P35348 3/20 0.54
HTR1A P08908 1/20 0.49
NPY5R Q15761 2/20 0.41
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK14 Q16539 2/20 0.39
HSPB1 P04792 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK11 Q15759 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
SCHEMBL6878002 1.00 MCHR1 (0.54) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL7047759 0.92 MCHR1 (0.56) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL7047765 0.92 MCHR1 (0.56) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875373 0.91 MCHR1 (0.54) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875374 0.91 MCHR1 (0.54) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868889 0.91 MCHR1 (0.58) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868729 0.91 MCHR1 (0.58) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868725 0.91 MCHR1 (0.58) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868895 0.91 MCHR1 (0.58) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877235 0.89 MCHR1 (0.56) MCHR1ADRA2AHTR2BHRH1ADRA1A

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