SCHEMBL28111707

SCHEMBL28111707

CN(Cc1cccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CNOC(=O)C(C)(C)C)c2)c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 14/20 0.57
CARM1 Q86X55 5/20 0.57
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49

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
SCHEMBL28111171 0.90 KLKB1 (0.61) KLKB1CARM1
SCHEMBL28836607 0.88 KLKB1 (0.61) KLKB1CARM1F2F10PRSS1
SCHEMBL28534581 0.87 CARM1 (0.66) KLKB1CARM1
SCHEMBL28111097 0.87 KLKB1 (0.59) KLKB1CARM1
SCHEMBL18604957 0.86 KLKB1 (0.66) KLKB1CARM1
SCHEMBL18604895 0.86 KLKB1 (0.78) KLKB1CARM1F2F10PRSS1
Hydrochloric Acid SCHEMBL18604877 0.85 KLKB1 (0.77) KLKB1CARM1F2F10PRSS1
SCHEMBL29245768 0.84 KLKB1 (0.62) KLKB1CARM1F2F10PRSS1
SCHEMBL25261667 0.83 KLKB1 (0.60) KLKB1CARM1F2F10PRSS1
SCHEMBL28111227 0.82 KLKB1 (0.58) 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 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