SCHEMBL28111107

SCHEMBL28111107

CN(C1CC1)C(c1ccc(F)c(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)c1)c1nccs1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.81

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
SCHEMBL18604843 0.91 KLKB1 (0.77) KLKB1
SCHEMBL17064369 0.90 KLKB1 (0.94) KLKB1
SCHEMBL18604682 0.90 KLKB1 (1.00) KLKB1
SCHEMBL28111155 0.88 KLKB1 (0.85) KLKB1
SCHEMBL18604688 0.88 KLKB1 (0.93) KLKB1
SCHEMBL18604748 0.87 KLKB1 (0.89) KLKB1
SCHEMBL18604801 0.86 KLKB1 (0.90) KLKB1
SCHEMBL20579711 0.86 KLKB1 (0.84) KLKB1
SCHEMBL30466472 0.86 KLKB1 (0.84) KLKB1
SCHEMBL31067467 0.85 KLKB1 (1.00) 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