SCHEMBL6875603

SCHEMBL6875603

COc1cccc(CC(=O)NCC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.42
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
ADRA2A P08913 4/20 0.41
ADRA1A P35348 2/20 0.41
HTR2B P41595 2/20 0.41
HRH1 P35367 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 3/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTR1A P08908 1/20 0.39
NPY5R Q15761 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6875597 1.00 MCHR1 (0.42) MCHR1NPC1MAPTTP53ADRA2A
SCHEMBL6456764 0.91 POLB (0.48) MCHR1MAPTTP53ADRA2AADRA1A
SCHEMBL6456777 0.91 POLB (0.48) MCHR1MAPTTP53ADRA2AADRA1A
SCHEMBL6456447 0.91 EPHX2 (0.43) MCHR1NPC1ADRA2AADRA1AHTR2B
SCHEMBL6456440 0.91 EPHX2 (0.43) MCHR1NPC1ADRA2AADRA1AHTR2B
SCHEMBL7041689 0.88 MCHR1 (0.43) MCHR1NPC1ADRA2AADRA1AHTR2B
SCHEMBL6876282 0.87 MCHR1 (0.55) MCHR1MAPTTP53ADRA2AADRA1A
SCHEMBL6876273 0.87 MCHR1 (0.55) MCHR1MAPTTP53ADRA2AADRA1A
SCHEMBL6873183 0.86 MAPT (0.43) MCHR1MAPTTP53ADRA2AADRA1A
SCHEMBL6873188 0.86 MAPT (0.43) MCHR1MAPTTP53ADRA2AADRA1A

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