SCHEMBL6876222

SCHEMBL6876222

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(I)o3)CC2)nc2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.47
ADRA2A P08913 8/20 0.47
HTR2B P41595 6/20 0.47
HRH1 P35367 5/20 0.47
ADRA1A P35348 4/20 0.47
HTR1A P08908 1/20 0.45
NPY5R Q15761 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6876227 1.00 MCHR1 (0.47) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458980 0.89 MCHR1 (0.46) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458985 0.89 MCHR1 (0.46) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878002 0.86 MCHR1 (0.54) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878008 0.86 MCHR1 (0.54) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875675 0.85 MCHR1 (0.47) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875673 0.85 MCHR1 (0.47) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL7047759 0.83 MCHR1 (0.56) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL7047765 0.83 MCHR1 (0.56) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877235 0.83 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed