SCHEMBL17786981

SCHEMBL17786981

Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(Cn5cc(F)cn5)cc4)c(C4CC4)n3)c(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.48
▸ KLK1 P06870 5/20 0.46

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
SCHEMBL17786939 0.93 KLKB1 (0.51) KLKB1KLK1
SCHEMBL17786928 0.93 KLKB1 (0.58) KLKB1KLK1
SCHEMBL17787033 0.91 KLKB1 (0.47) KLKB1KLK1
SCHEMBL17786907 0.90 KLKB1 (0.52) KLKB1KLK1
SCHEMBL17786927 0.88 KLKB1 (0.53) KLKB1KLK1
SCHEMBL17787032 0.87 KLKB1 (0.46) KLKB1KLK1
SCHEMBL17786918 0.86 KLKB1 (0.48) KLKB1KLK1
SCHEMBL17786896 0.85 KLKB1 (0.59) KLKB1KLK1
SCHEMBL17787071 0.84 KLKB1 (0.45) KLKB1KLK1
SCHEMBL17786803 0.84 KLKB1 (0.56) KLKB1KLK1

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
WO-2016083816-A1 N-((HETEROARYLMETHYL)-HETEROARYL-CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-02 — — WO claimed
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