SCHEMBL17786990

SCHEMBL17786990

COCc1nn(Cc2ccc(Cn3cc(F)cn3)cc2)cc1C(=O)NCc1cnc2[nH]cc(Cl)cc1-2

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 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
SCHEMBL17786836 0.84 KLKB1 (0.67) KLKB1
SCHEMBL17786982 0.83 KLKB1 (0.57) KLKB1
SCHEMBL17786906 0.81 KLKB1 (0.57) KLKB1
SCHEMBL17786935 0.75 KLKB1 (0.69) KLKB1
SCHEMBL17786807 0.75 KLKB1 (0.68) KLKB1
SCHEMBL17786943 0.75 KLKB1 (0.70) KLKB1
SCHEMBL17786847 0.74 KLKB1 (0.78) KLKB1
SCHEMBL17787000 0.74 KLKB1 (0.67) KLKB1
SCHEMBL17787061 0.74 KLKB1 (0.66) KLKB1
SCHEMBL17786993 0.73 KLKB1 (0.52) 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
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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