SCHEMBL21985903

SCHEMBL21985903

CCc1ccc(Cn2cc(C(=O)NCc3c(F)cccc3-n3cnnn3)c(COC)n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 0.81
▸ F11 P03951 9/20 0.65
▸ F2 P00734 3/20 0.65

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
SCHEMBL21145550 0.90 KLKB1 (0.79) KLKB1F11F2
SCHEMBL17785422 0.90 KLKB1 (1.00) KLKB1F11F2
SCHEMBL31339413 0.90 KLKB1 (1.00) KLKB1F11F2
SCHEMBL21145604 0.85 KLKB1 (0.81) KLKB1F11F2
SCHEMBL21145557 0.85 F11 (0.80) KLKB1F11F2
SCHEMBL21145576 0.81 KLKB1 (0.86) KLKB1F11F2
SCHEMBL21145620 0.81 KLKB1 (1.00) KLKB1F11F2
SCHEMBL21145573 0.79 KLKB1 (1.00) KLKB1F11F2
SCHEMBL19668198 0.78 KLKB1 (1.00) KLKB1F11F2
SCHEMBL19682715 0.77 KLKB1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3760622-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2021-01-06 — — EP disclosed
EP-3464271-B1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2020-05-13 — — EP disclosed
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