SCHEMBL3678078

SCHEMBL3678078

CCCC(C=O)NC(=O)C(N)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.48
SLC7A5 Q01650 1/20 0.40
SLC15A1 P46059 1/20 0.39
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP9 Q86TI2 3/20 0.39
DPP7 Q9UHL4 3/20 0.39
ANPEP P15144 2/20 0.38
RNPEP Q9H4A4 2/20 0.38
DNPEP Q9ULA0 1/20 0.38
CAPN1 P07384 1/20 0.36
LARS1 Q9P2J5 1/20 0.36
SCN9A Q15858 3/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 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
SCHEMBL3678079 1.00 CTSK (0.48) CTSKSLC7A5SLC15A1DPP4DPP8
SCHEMBL4226580 0.93 CTSK (0.43) CTSKSLC7A5SLC15A1DPP4DPP8
SCHEMBL4226584 0.93 CTSK (0.43) CTSKSLC7A5SLC15A1DPP4DPP8
SCHEMBL8003112 0.91 CTSK (0.59) CTSKSLC15A1DPP4DPP8DPP9
SCHEMBL6031204 0.91 CTSK (0.59) CTSKSLC15A1DPP4DPP8DPP9
SCHEMBL9572289 0.91 CTSK (0.59) CTSKSLC15A1DPP4DPP8DPP9
SCHEMBL18520339 0.87 DPP8 (0.45) CTSKSLC15A1DPP4DPP8DPP9
SCHEMBL8270222 0.87 SLC7A5 (0.42) CTSKSLC7A5SLC15A1DPP4DPP8
SCHEMBL8817388 0.86 CAPN1 (0.46) CTSKSLC7A5ANPEPRNPEPDNPEP
SCHEMBL2475740 0.86 CAPN1 (0.46) CTSKSLC7A5ANPEPRNPEPDNPEP

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-2170325-A2 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2010-04-07 EP disclosed
WO-2009019505-A2 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-12 WO disclosed