SCHEMBL6876273

SCHEMBL6876273

COc1cccc(C(=O)NC[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.55
ADRA2A P08913 8/20 0.51
ADRA1A P35348 3/20 0.51
HTR2B P41595 3/20 0.51
HRH1 P35367 2/20 0.51
HPGD P15428 1/20 0.50
HTR1A P08908 1/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.44
NPY5R Q15761 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL6876282 1.00 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6877672 0.91 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6877677 0.91 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876625 0.90 MCHR1 (0.58) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876631 0.90 MCHR1 (0.58) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876332 0.89 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6457775 0.89 MCHR1 (0.66) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6457763 0.89 MCHR1 (0.66) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873500 0.88 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873504 0.88 MCHR1 (0.59) 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