SCHEMBL28111675

SCHEMBL28111675

CN(C1CC1)C(c1ccccc1)c1ccc(F)c(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C(=N)N)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 16/20 0.73
F9 P00740 2/20 0.55
F10 P00742 2/20 0.55
F2 P00734 2/20 0.55
PRSS1 P07477 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55

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
SCHEMBL18604646 0.92 KLKB1 (0.70) KLKB1
SCHEMBL18605123 0.92 KLKB1 (0.80) KLKB1PRSS1PRSS2PRSS3
SCHEMBL18604821 0.91 KLKB1 (0.69) KLKB1
SCHEMBL20579701 0.86 KLKB1 (0.82) KLKB1PRSS1PRSS2PRSS3
SCHEMBL17064369 0.84 KLKB1 (0.94) KLKB1
SCHEMBL18604682 0.84 KLKB1 (1.00) KLKB1
SCHEMBL18604998 0.84 KLKB1 (0.78) KLKB1
SCHEMBL18604801 0.84 KLKB1 (0.90) KLKB1
SCHEMBL31744211 0.83 KLKB1 (1.00) KLKB1PRSS1PRSS2PRSS3
SCHEMBL17064981 0.83 KLKB1 (1.00) KLKB1PRSS1PRSS2PRSS3

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