SCHEMBL6210237

SCHEMBL6210237

CC(CC(N)=O)CC(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.34
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
DPP9 Q86TI2 1/20 0.31
MT-CO2 P00403 1/20 0.31
ALOX5 P09917 1/20 0.31
GRM4 Q14833 1/20 0.31
CTSK P43235 3/20 0.31
POLB P06746 1/20 0.31
CPB2 Q96IY4 3/20 0.30

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
SCHEMBL6210484 0.87 CTSL (0.39) CTSK
SCHEMBL6209760 0.86 MT-CO2 (0.33) DPP4MT-CO2ALOX5GRM4POLB
SCHEMBL6209960 0.85 CTSK (0.39) DPP4DPP9CTSK
SCHEMBL6209846 0.84 DPP4 (0.35) DPP4DPP8DPP7
SCHEMBL6209880 0.84 PREP (0.35) DPP4DPP8DPP9CTSK
SCHEMBL4039452 0.81 CTSK (0.32) MT-CO2ALOX5GRM4CTSK
SCHEMBL6211848 0.80 NAMPT (0.32) MT-CO2ALOX5GRM4
SCHEMBL4040192 0.80 MT-CO2 (0.31) MT-CO2ALOX5
SCHEMBL6208517 0.79 HSD17B10 (0.41) POLB
SCHEMBL4043017 0.78 CTSK (0.34) DPP4DPP8DPP9CTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed