SCHEMBL8257927

SCHEMBL8257927

C=CCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.39
▸ F10 P00742 1/20 0.39
▸ DPP4 P27487 6/20 0.39
▸ DPP8 Q6V1X1 3/20 0.39
▸ DPP7 Q9UHL4 2/20 0.39
▸ DPP9 Q86TI2 2/20 0.39
▸ FAP Q12884 1/20 0.39
▸ OPRM1 P35372 3/20 0.35
▸ FKBP5 Q13451 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ XIAP P98170 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ OPRD1 P41143 2/20 0.32
▸ OPRK1 P41145 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
SCHEMBL8240043 0.97 F2 (0.39) F2F10DPP4DPP8DPP7
SCHEMBL12605913 0.89 DPP4 (0.39) F2DPP4DPP8DPP7DPP9
SCHEMBL8248226 0.88 DPP4 (0.38) F2F10DPP4DPP8DPP7
SCHEMBL8280667 0.87 F2 (0.38) F2F10DPP4OPRM1ALDH1A1
SCHEMBL8249847 0.86 NPSR1 (0.39) F2F10DPP4DPP8DPP7
SCHEMBL12600611 0.86 DPP4 (0.38) F2DPP4DPP8DPP7DPP9
SCHEMBL8251047 0.85 DPP4 (0.45) F2F10DPP4DPP8DPP7
SCHEMBL8240265 0.85 DPP4 (0.39) F2F10DPP4DPP8DPP7
SCHEMBL8246145 0.84 DPP4 (0.42) F2F10DPP4DPP8DPP7
SCHEMBL8244610 0.83 ELANE (0.39) F2F10DPP4DPP8DPP7

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
WO-2006130686-A2 HCV PROTEASE INHIBITORS IN COMBINATION WITH FOOD SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
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