SCHEMBL8187686

SCHEMBL8187686

COC(=O)[C@@H]1CC(OC(=O)N2Cc3cccc(F)c3C2)CN1C(=O)C(CC(=O)NC(C)(C)C)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
ABHD6 Q9BV23 1/20 0.31
KCNH2 Q12809 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 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
SCHEMBL8200153 0.93 DPP8 (0.35) DPP8DPP9DPP7ABHD6DDB1
SCHEMBL4595406 0.93 DPP8 (0.35) DPP8DPP9DPP7ABHD6DDB1
SCHEMBL8060885 0.87 XIAP (0.36) DPP8DPP9DPP7ABHD6DDB1
SCHEMBL4596301 0.86
SCHEMBL8186412 0.86 DPP8 (0.32) DPP8DPP9DPP7
SCHEMBL4406308 0.84 DPP4 (0.44) DPP8DPP9DPP7ABHD6KCNH2
SCHEMBL4257147 0.84 DPP4 (0.44) DPP8DPP9DPP7ABHD6KCNH2
SCHEMBL8193153 0.80
SCHEMBL4589829 0.80
SCHEMBL4259244 0.79 ELANE (0.37)

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-2008070358-A2 N-CYCLOPROPYL-HYDROXYPROLINE-BASED TRIPEPTIDIC HEPATITIS C SERINE PROTEASE INHIBITORS CONTAINING AN ISOINDOLE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE OR PYRROLOPYRAZINE HETEROCYCLE IN THE SIDE CHAIN PHENOMIX CORPORATION (US) 2008-06-12 WO disclosed