SCHEMBL8240611

SCHEMBL8240611

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.38
▸ DPP8 Q6V1X1 2/20 0.38
▸ DPP9 Q86TI2 2/20 0.38
▸ FAP Q12884 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ DPP3 Q9NY33 2/20 0.34
▸ XIAP P98170 1/20 0.34
▸ F2 P00734 4/20 0.33
▸ PRSS1 P07477 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ CMA1 P23946 1/20 0.32

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
SCHEMBL8279959 0.90 CASP1 (0.36) OPRM1F2PRSS1
SCHEMBL8280370 0.89 DPP4 (0.39) DPP4DPP8DPP9FAPDPP7
SCHEMBL8243897 0.89 DPP4 (0.39) DPP4DPP8DPP9FAPDPP7
SCHEMBL8249903 0.89 CASP1 (0.35) OPRM1CMA1
SCHEMBL8247918 0.88 DPP4 (0.38) DPP4DPP8DPP9FAPDPP7
SCHEMBL8279416 0.88 PEPD (0.42) DPP4DPP8DPP9FAPDPP7
SCHEMBL8253477 0.88 DPP4 (0.38) DPP4DPP8DPP9FAPDPP7
SCHEMBL13818162 0.87 DPP4 (0.40) DPP4DPP8DPP9FAPDPP7
SCHEMBL12600611 0.86 DPP4 (0.38) DPP4DPP8DPP9FAPDPP7
SCHEMBL8240265 0.86 DPP4 (0.39) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006130686-A2 HCV PROTEASE INHIBITORS IN COMBINATION WITH FOOD SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
WO-2006130688-A2 COMPOUNDS FOR INHIBITING CATHEPSIN ACTIVITY SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
WO-2006130626-A2 METHOD FOR MODULATING ACTIVITY OF HCV PROTEASE THROUGH USE OF A NOVEL HCV PROTEASE INHIBITOR TO REDUCE DURATION OF TREATMENT PERIOD SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
WO-2006130627-A2 METHODS FOR TREATING HEPATITIS C SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
WO-2005085242-A1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-09-15 — — WO disclosed
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