SCHEMBL5616360

SCHEMBL5616360

CCOc1ccc(-c2cccc(C#N)c2)cc1CNC1CCC(OC(=O)N(CC)CC)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.38
NPBWR1 P48145 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CTSA P10619 1/20 0.37
NLRP3 Q96P20 1/20 0.36
CD274 Q9NZQ7 3/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PDCD1 Q15116 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL5616361 0.87 MCHR1 (0.42) MCHR1NPBWR1GAAHRH2HRH1
SCHEMBL4733671 0.86 IRAK4 (0.41) MCHR1NPBWR1RXFP1GAAHRH2
SCHEMBL4733667 0.83 MCHR1 (0.40) MCHR1NPBWR1GAAHRH2HRH1
Hydrochloric Acid SCHEMBL4731442 0.82 NPBWR1 (0.44) MCHR1NPBWR1GAAHRH2HRH1
SCHEMBL12540937 0.82 IRAK4 (0.37) MCHR1NPBWR1GAAHRH2HRH1
SCHEMBL12540936 0.82 BRD4 (0.37) MCHR1NPBWR1GAAHRH2HRH1
SCHEMBL12678422 0.82 IRAK4 (0.38) MCHR1NPBWR1GAAHRH2HRH1
SCHEMBL12540934 0.81 CTSA (0.39) MCHR1NPBWR1RXFP1GAAHRH2
SCHEMBL4732368 0.78 MCHR1 (0.41) MCHR1NPBWR1HRH3CTSAEGLN1
SCHEMBL4731667 0.77 CD274 (0.43) MCHR1CTSACD274IRAK4

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
WO-2007089669-A2 PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION WYETH (US) 2007-08-09 WO disclosed