SCHEMBL17786844

SCHEMBL17786844

COCc1nn(Cc2ccc(Cn3cc(C)cn3)cn2)cc1C(=O)NCc1ccc2c(N)nccc2c1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.89
▸ KLK1 P06870 1/20 0.62

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
SCHEMBL17787060 0.88 KLKB1 (0.85) KLKB1
SCHEMBL17786934 0.88 KLKB1 (0.85) KLKB1
SCHEMBL17693887 0.88 KLKB1 (1.00) KLKB1
SCHEMBL17786800 0.87 KLKB1 (0.84) KLKB1
SCHEMBL17787051 0.84 KLKB1 (0.82) KLKB1
SCHEMBL17696322 0.84 KLKB1 (1.00) KLKB1
SCHEMBL17787058 0.83 KLKB1 (0.80) KLKB1
SCHEMBL17786922 0.83 KLKB1 (0.80) KLKB1
SCHEMBL18725245 0.83 KLKB1 (0.79) KLKB1KLK1
SCHEMBL17787157 0.82 KLKB1 (0.78) 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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