SCHEMBL8253477

SCHEMBL8253477

C=CCNC(=O)C(=O)C(CCCC)NC(=O)C1CCCN1C(=O)C(N)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.38
▸ DPP8 Q6V1X1 3/20 0.38
▸ DPP9 Q86TI2 3/20 0.38
▸ FAP Q12884 2/20 0.38
▸ DPP7 Q9UHL4 2/20 0.38
▸ XIAP P98170 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ STAT3 P40763 1/20 0.35
▸ GRB2 P62993 1/20 0.35
▸ DPP3 Q9NY33 2/20 0.35
▸ F2 P00734 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8247918 1.00 DPP4 (0.38) DPP4DPP8DPP9FAPDPP7
SCHEMBL8280370 0.95 DPP4 (0.39) DPP4DPP8DPP9FAPDPP7
SCHEMBL8243897 0.95 DPP4 (0.39) DPP4DPP8DPP9FAPDPP7
SCHEMBL8247400 0.90 DPP4 (0.41) DPP4DPP8DPP9FAPDPP7
SCHEMBL8249374 0.90 DPP4 (0.41) DPP4DPP8DPP9FAPDPP7
SCHEMBL8252796 0.90 OPRM1 (0.36) DPP4DPP8DPP9FAPDPP7
SCHEMBL8279416 0.89 PEPD (0.42) DPP4DPP8DPP9FAPDPP7
SCHEMBL8250731 0.89 ELANE (0.36) CTSK
SCHEMBL8240611 0.88 DPP4 (0.38) DPP4DPP8DPP9FAPDPP7
SCHEMBL8240265 0.87 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 2 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-2006130687-A2 LIVER/PLASMA CONCENTRATION RATIO FOR DOSING HEPATITIS C VIRUS PROTEASE INHIBITOR SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
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