SCHEMBL6868631

SCHEMBL6868631

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ADRA2A P08913 5/20 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
NPY5R Q15761 1/20 0.45
MAPK14 Q16539 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6868624 1.00 MCHR1 (0.55) MCHR1MEN1KMT2AADRA2AADRA1A
SCHEMBL6879751 0.90 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6879759 0.90 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875149 0.89 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875143 0.89 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6877116 0.89 MCHR1 (0.56) MCHR1MEN1KMT2AADRA2AADRA1A
SCHEMBL6877119 0.89 MCHR1 (0.56) MCHR1MEN1KMT2AADRA2AADRA1A
SCHEMBL6879232 0.88 MCHR1 (0.52) MCHR1MEN1KMT2AADRA2AADRA1A
SCHEMBL6461051 0.88 MCHR1 (0.63) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6461062 0.88 MCHR1 (0.63) 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