SCHEMBL4257147

SCHEMBL4257147

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.44
DPP8 Q6V1X1 7/20 0.44
DPP7 Q9UHL4 7/20 0.44
DPP9 Q86TI2 6/20 0.44
KCNH2 Q12809 3/20 0.35
ABHD6 Q9BV23 1/20 0.33

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
SCHEMBL4406308 1.00 DPP4 (0.44) DPP4DPP8DPP7DPP9KCNH2
Hydrochloric Acid SCHEMBL2744138 0.89 DPP8 (0.41) DPP4DPP8DPP7DPP9ABHD6
SCHEMBL8060885 0.85 XIAP (0.36) DPP4DPP8DPP7DPP9ABHD6
SCHEMBL8239266 0.84 DPP8 (0.39) DPP4DPP8DPP7DPP9
SCHEMBL8187686 0.84 DPP8 (0.35) DPP8DPP7DPP9KCNH2ABHD6
SCHEMBL4259244 0.82 ELANE (0.37)
SCHEMBL14963381 0.80 DDB1 (0.42) DPP8DPP7DPP9ABHD6
SCHEMBL4655478 0.80 DDB1 (0.42) DPP8DPP7DPP9ABHD6
SCHEMBL6913773 0.80 DDB1 (0.42) DPP8DPP7DPP9ABHD6
SCHEMBL2805310 0.80 DDB1 (0.42) DPP8DPP7DPP9ABHD6

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-2009046098-A1 NOVEL CYCLIC BORONATE INHIBITORS OF HCV REPLICATION SMITHKLINE BEECHAM CORPORATION (US) 2009-04-09 WO disclosed