SCHEMBL6878685

SCHEMBL6878685

CC(C)c1cc(Br)c(NC(=O)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.39
ADRA2A P08913 14/20 0.39
HRH1 P35367 5/20 0.36
HTR2B P41595 5/20 0.36
ADRA1A P35348 3/20 0.36
POLB P06746 1/20 0.36
P2RX4 Q99571 1/20 0.36
HTR1A P08908 1/20 0.35
NPY5R Q15761 1/20 0.35
TP53 P04637 1/20 0.35
EPHX1 P07099 1/20 0.35
NFKB1 P19838 1/20 0.35
EPHX2 P34913 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 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
SCHEMBL6878688 1.00 MCHR1 (0.39) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462108 0.91 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462113 0.91 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867407 0.89 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867415 0.89 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458964 0.87 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463615 0.87 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458626 0.85 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873238 0.85 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458617 0.85 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A

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