SCHEMBL28111084

SCHEMBL28111084

CC(C)(C)OC(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2c[c]ccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 8/20 0.63
CARM1 Q86X55 11/20 0.60
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48

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
SCHEMBL28530109 0.88 KLKB1 (0.57) KLKB1CARM1F2F10PRSS1
SCHEMBL28111078 0.87 KLKB1 (0.67) KLKB1CARM1F2F10PRSS1
SCHEMBL31067518 0.86 KLKB1 (0.72) KLKB1CARM1
SCHEMBL31744210 0.86 KLKB1 (0.70) KLKB1CARM1
SCHEMBL18604753 0.86 KLKB1 (0.70) KLKB1CARM1
SCHEMBL31744170 0.86 KLKB1 (0.72) KLKB1CARM1
SCHEMBL18604749 0.86 KLKB1 (0.72) KLKB1CARM1
SCHEMBL17064626 0.85 KLKB1 (0.69) KLKB1CARM1
SCHEMBL18604751 0.85 KLKB1 (0.68) KLKB1CARM1
SCHEMBL17064709 0.85 KLKB1 (0.68) KLKB1CARM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
CN-113307772-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2021-08-27 CN disclosed
CN-106257976-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2021-02-02 CN disclosed
CN-106257976-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2016-12-28 CN disclosed