SCHEMBL28111118

SCHEMBL28111118

CC(C)(C)C(=O)ONCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(N)(CCC3CC3)c3ccccc3)ccc2F)c1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.79

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
SCHEMBL29825810 0.89 KLKB1 (0.78) KLKB1
SCHEMBL18605140 0.89 KLKB1 (0.78) KLKB1
SCHEMBL29825670 0.88 KLKB1 (1.00) KLKB1
SCHEMBL30415129 0.88 KLKB1 (1.00) KLKB1
SCHEMBL17064539 0.88 KLKB1 (1.00) KLKB1
SCHEMBL22976036 0.84 KLKB1 (0.85) KLKB1
SCHEMBL18604780 0.84 KLKB1 (0.78) KLKB1
SCHEMBL29826170 0.84 KLKB1 (0.78) KLKB1
SCHEMBL17064639 0.84 KLKB1 (0.79) KLKB1
SCHEMBL31067493 0.84 KLKB1 (0.79) KLKB1

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
CN-106257976-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2016-12-28 CN disclosed