SCHEMBL17786924

SCHEMBL17786924

COCc1nn(Cc2ccc(N3CCCC3)nc2)cc1C(=O)NCc1ccc2c(N)nccc2c1F

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.62
▸ F11 P03951 3/20 0.58

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
SCHEMBL17787132 0.92 KLKB1 (0.70) KLKB1F11
SCHEMBL17786903 0.91 KLKB1 (0.62) KLKB1F11
SCHEMBL17787010 0.91 KLKB1 (0.60) KLKB1F11
SCHEMBL17786842 0.87 KLKB1 (0.65) KLKB1F11
Hydrochloric Acid SCHEMBL17786908 0.85 KLKB1 (0.80) KLKB1
SCHEMBL17787054 0.85 KLKB1 (0.66) KLKB1F11
SCHEMBL17787151 0.84 KLKB1 (0.65) KLKB1F11
SCHEMBL17786807 0.84 KLKB1 (0.68) KLKB1
SCHEMBL17786873 0.84 KLKB1 (0.74) KLKB1F11
SCHEMBL17787150 0.84 KLKB1 (0.49) KLKB1F11

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