SCHEMBL6868469

SCHEMBL6868469

Cc1cc(C)c(CNCC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.42
ADRA2A P08913 10/20 0.40
HTR2B P41595 6/20 0.40
HRH1 P35367 5/20 0.40
ADRA1A P35348 4/20 0.40
HTR1A P08908 1/20 0.40
NPY5R Q15761 3/20 0.40
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRB2 P07550 1/20 0.35
KDM1A O60341 1/20 0.32

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
SCHEMBL6868460 1.00 MCHR1 (0.42) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877490 0.90 MCHR1 (0.41) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877479 0.90 MCHR1 (0.41) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877106 0.89 MCHR1 (0.39) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6876551 0.87 ALDH1A1 (0.46) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6876546 0.87 ALDH1A1 (0.46) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6461488 0.85 MCHR1 (0.41) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6461483 0.85 MCHR1 (0.41) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875332 0.85 CTSS (0.43) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875338 0.85 CTSS (0.43) MCHR1ADRA2AHTR2BHRH1ADRA1A

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