SCHEMBL6879328

SCHEMBL6879328

Cc1cc(C(=O)NCC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc(C)c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.52
ADRA2A P08913 7/20 0.50
ADRA1A P35348 4/20 0.50
HTR2B P41595 4/20 0.50
HRH1 P35367 3/20 0.50
HTR1A P08908 2/20 0.50
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45
NPY5R Q15761 3/20 0.44
SLC6A5 Q9Y345 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL6879327 1.00 MCHR1 (0.52) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL13792780 0.88 MCHR1 (0.57) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6880422 0.84 MCHR1 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868089 0.83 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868083 0.83 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873725 0.83 MCHR1 (0.52) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873720 0.83 MCHR1 (0.52) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876332 0.82 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL7047765 0.82 MCHR1 (0.56) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL7047759 0.82 MCHR1 (0.56) 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