SCHEMBL6868895

SCHEMBL6868895

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.58
ADRA2A P08913 9/20 0.56
HTR2B P41595 6/20 0.56
HRH1 P35367 5/20 0.56
ADRA1A P35348 4/20 0.56
NPY5R Q15761 3/20 0.50
HTR1A P08908 1/20 0.49
CXCR3 P49682 1/20 0.42
P2RX3 P56373 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6868889 1.00 MCHR1 (0.58) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL7047765 0.92 MCHR1 (0.56) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL7047759 0.92 MCHR1 (0.56) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875077 0.91 MCHR1 (0.71) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878002 0.91 MCHR1 (0.54) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875374 0.91 MCHR1 (0.54) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868729 0.91 MCHR1 (0.58) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875373 0.91 MCHR1 (0.54) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878008 0.91 MCHR1 (0.54) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875080 0.91 MCHR1 (0.71) 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