SCHEMBL5045191

SCHEMBL5045191

Cc1cc(-c2ccccc2CN)ccc1CN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.57
NOS3 P29474 1/20 0.55
NOS1 P29475 1/20 0.55
NOS2 P35228 1/20 0.55
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
HTR7 P34969 2/20 0.40
TRPA1 O75762 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HSD17B3 P37058 1/20 0.38
ADRA2C P18825 1/20 0.37
PNMT P11086 2/20 0.36
F10 P00742 1/20 0.36
CHEK1 O14757 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
CSNK2A2 P19784 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
SCHEMBL9294904 0.89 DPP4 (0.57) DPP4NOS3NOS1NOS2PRMT5
SCHEMBL3785259 0.85 DPP4 (0.57) DPP4NOS3NOS1NOS2PRMT5
SCHEMBL27867853 0.84 DPP4 (0.52) DPP4NOS3NOS1NOS2HSD17B3
SCHEMBL2571211 0.81 TAAR1 (0.48) DPP4TAAR1
SCHEMBL8304619 0.81 DPP4 (0.52) DPP4NOS3NOS1NOS2PRMT5
SCHEMBL1038044 0.79 DPP4 (0.69) DPP4NOS3NOS1NOS2HTR7
SCHEMBL3787422 0.78 DPP4 (0.62) DPP4NOS3NOS1NOS2HTR7
SCHEMBL27987589 0.76 DPP4 (0.59) DPP4NOS3NOS1NOS2TRPA1
SCHEMBL25106864 0.75 ALDH1A1 (0.41) NOS3NOS1NOS2TAAR1BACE1
SCHEMBL25106855 0.75 ALDH1A1 (0.41) NOS3NOS1NOS2TAAR1BACE1

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-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed