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Sugi Predict / Compounds / SCHEMBL13071463

SCHEMBL13071463

SCHEMBL13071463

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 10/20 0.39
▸ DPP7 Q9UHL4 7/20 0.39
▸ DPP8 Q6V1X1 7/20 0.39
▸ DPP9 Q86TI2 5/20 0.39
▸ FAP Q12884 4/20 0.39
▸ ACE P12821 2/20 0.35
▸ REN P00797 1/20 0.35

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
SCHEMBL13071561 0.88 DPP4 (0.39) DPP4DPP7DPP8DPP9FAP
SCHEMBL13071679 0.84 DPP4 (0.39) DPP4DPP7DPP8DPP9ACE
SCHEMBL8266621 0.83 DPP4 (0.44) DPP4
SCHEMBL13071454 0.83 DPP4 (0.33) DPP4DPP7DPP8DPP9FAP
SCHEMBL12831740 0.82 OPRM1 (0.34) DPP4DPP7DPP8DPP9FAP
SCHEMBL6124816 0.81 F2 (0.44) ACE
SCHEMBL12784272 0.79 DPP7 (0.46) DPP4DPP7DPP8DPP9FAP
SCHEMBL13071458 0.79 DPP8 (0.38) DPP4DPP8ACE
SCHEMBL13071921 0.76 DPP4 (0.35) DPP4ACE
SCHEMBL12831734 0.75 DPP4 (0.33) DPP4DPP7DPP8DPP9FAP

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-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 — — WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 — — WO disclosed