SCHEMBL12601319

SCHEMBL12601319

CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)(C)C)C(=O)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.45
▸ DPP8 Q6V1X1 2/20 0.45
▸ DPP9 Q86TI2 2/20 0.45
▸ FAP Q12884 1/20 0.45
▸ DPP7 Q9UHL4 1/20 0.45
▸ XIAP P98170 1/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ F2 P00734 4/20 0.41
▸ F10 P00742 2/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ PLG P00747 1/20 0.41
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ CMA1 P23946 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ CTSF Q9UBX1 1/20 0.39
▸ OPRD1 P41143 1/20 0.39

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
SCHEMBL8253104 0.87 ELANE (0.47) DPP4DPP8DPP9FAPDPP7
SCHEMBL8247440 0.86 ELANE (0.50) DPP4DPP8DPP9FAPDPP7
SCHEMBL8243897 0.85 DPP4 (0.39) DPP4DPP8DPP9FAPDPP7
SCHEMBL8280370 0.85 DPP4 (0.39) DPP4DPP8DPP9FAPDPP7
SCHEMBL8249374 0.83 DPP4 (0.41) DPP4DPP8DPP9FAPDPP7
SCHEMBL8247400 0.83 DPP4 (0.41) DPP4DPP8DPP9FAPDPP7
SCHEMBL8245432 0.83 DPP4 (0.49) DPP4DPP8DPP9FAPDPP7
SCHEMBL12856111 0.83 DPP4 (0.40) DPP4DPP8DPP9FAPDPP7
SCHEMBL12605556 0.81 ELANE (0.42) OPRM1F2F10PRSS1PLG
SCHEMBL8294410 0.80 OPRM1 (0.46) DPP4DPP8DPP9FAPDPP7

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-1730142-B1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORP (US) 2011-06-29 — — EP disclosed
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