SCHEMBL6875149

SCHEMBL6875149

CN(C)c1ccnc(NC2CCC(CNC(=O)c3cccc(I)c3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.55
ADRA2A P08913 3/20 0.51
ADRA1A P35348 3/20 0.51
HTR2B P41595 3/20 0.51
HRH1 P35367 2/20 0.51
HTR1A P08908 1/20 0.47
MAPK14 Q16539 2/20 0.43
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
NPY5R Q15761 1/20 0.40

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
SCHEMBL6875143 1.00 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6879759 0.90 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6879751 0.90 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868631 0.89 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868624 0.89 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868377 0.89 MCHR1 (0.56) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868374 0.89 MCHR1 (0.56) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6458287 0.88 MCHR1 (0.60) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6458290 0.88 MCHR1 (0.60) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL7110027 0.87 MCHR1 (0.60) 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