SCHEMBL6875124

SCHEMBL6875124

CN(C)c1nc(NC2CCC(CNC(=O)c3cc(Cl)sc3Cl)CC2)nc2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.51
ADRA2A P08913 8/20 0.47
HTR2B P41595 4/20 0.47
ADRA1A P35348 2/20 0.47
HTR1A P08908 1/20 0.47
HRH1 P35367 3/20 0.46
NPY5R Q15761 3/20 0.43
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL6875119 1.00 MCHR1 (0.51) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6459895 0.88 HPGD (0.46) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6459903 0.88 HPGD (0.46) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6873490 0.86 MCHR1 (0.49) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6873487 0.86 MCHR1 (0.49) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL27631579 0.85 MCHR1 (0.50) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6875077 0.85 MCHR1 (0.71) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6875080 0.85 MCHR1 (0.71) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6878554 0.84 MCHR1 (0.50) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6878550 0.84 MCHR1 (0.50) MCHR1ADRA2AHTR2BADRA1AHTR1A

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