SCHEMBL8249374

SCHEMBL8249374

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.41
▸ DPP8 Q6V1X1 3/20 0.41
▸ DPP9 Q86TI2 3/20 0.41
▸ FAP Q12884 2/20 0.41
▸ DPP7 Q9UHL4 2/20 0.41
▸ XIAP P98170 1/20 0.39
▸ GRB2 P62993 1/20 0.39
▸ F2 P00734 1/20 0.37
▸ DPP3 Q9NY33 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CTSK P43235 1/20 0.36

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
SCHEMBL8247400 0.94 DPP4 (0.41) DPP4DPP8DPP9FAPDPP7
SCHEMBL8253477 0.90 DPP4 (0.38) DPP4DPP8DPP9FAPDPP7
SCHEMBL8247918 0.90 DPP4 (0.38) DPP4DPP8DPP9FAPDPP7
SCHEMBL12601475 0.88 ELANE (0.39) GRB2F2ELANECTSK
SCHEMBL8249934 0.86 NPSR1 (0.43) DPP4DPP8DPP9FAPDPP7
SCHEMBL8243897 0.84 DPP4 (0.39) DPP4DPP8DPP9FAPDPP7
SCHEMBL8280370 0.84 DPP4 (0.39) DPP4DPP8DPP9FAPDPP7
SCHEMBL12601319 0.83 DPP4 (0.45) DPP4DPP8DPP9FAPDPP7
SCHEMBL8255656 0.82 NPSR1 (0.44) DPP4DPP8DPP9FAPDPP7
SCHEMBL12606135 0.80 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006130553-A2 HCV PROTEASE INHIBITORS 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
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