SCHEMBL13711271

SCHEMBL13711271

CCOC(=O)[C@@]12C[C@H]1/C=C\CCC(F)(F)CCCC(=O)N1C[C@H](OC(=O)N3Cc4cccc(F)c4C3)C[C@H]1C(=O)N2

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 2/20 0.30
▸ DPP9 Q86TI2 2/20 0.30
▸ DPP7 Q9UHL4 2/20 0.30

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
SCHEMBL11984042 0.85 CYP3A4 (0.37) —
SCHEMBL12349946 0.85 ADRB3 (0.33) —
SCHEMBL12844500 0.84 ADRB3 (0.34) DPP8DPP9DPP7
SCHEMBL7868212 0.84 ADRB3 (0.34) DPP8DPP9DPP7
SCHEMBL8238244 0.82 — —
SCHEMBL7868816 0.81 ADRB3 (0.37) —
SCHEMBL7877261 0.81 ADRB3 (0.36) —
SCHEMBL8247208 0.81 ADRB3 (0.31) —
SCHEMBL13711270 0.80 — —
SCHEMBL497884 0.80 ADRB3 (0.39) —

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
EP-2103623-A2 Novel macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2009-09-23 — — EP disclosed
Send feedback