SCHEMBL6878448

SCHEMBL6878448

CN(C)c1nc(NC2CCC(CNC(=O)Cc3ccccc3I)CC2)nc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.41
ADRA2A P08913 9/20 0.41
ADRA1A P35348 3/20 0.41
HTR2B P41595 3/20 0.41
HRH1 P35367 2/20 0.41
HTR1A P08908 2/20 0.40
NPY5R Q15761 4/20 0.39
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 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
SCHEMBL6878444 1.00 MCHR1 (0.41) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6458749 0.90 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6458745 0.90 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6880125 0.90 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878486 0.89 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878481 0.89 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL7041689 0.88 MCHR1 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875675 0.86 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875673 0.86 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6872671 0.85 MCHR1 (0.51) 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