SCHEMBL17787000

SCHEMBL17787000

COCc1nn(Cc2ccc(Cn3cc(F)cn3)cc2)cc1C(=O)NCc1cc2ccnc(N)c2cc1OC

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.67

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
SCHEMBL17786935 0.93 KLKB1 (0.69) KLKB1
SCHEMBL17787058 0.92 KLKB1 (0.80) KLKB1
SCHEMBL17786943 0.92 KLKB1 (0.70) KLKB1
SCHEMBL17786914 0.88 KLKB1 (0.72) KLKB1
SCHEMBL17787221 0.86 KLKB1 (0.50) KLKB1
SCHEMBL17786922 0.86 KLKB1 (0.80) KLKB1
SCHEMBL17787202 0.86 KLKB1 (0.66) KLKB1
SCHEMBL17787061 0.85 KLKB1 (0.66) KLKB1
SCHEMBL17786807 0.85 KLKB1 (0.68) KLKB1
SCHEMBL17786847 0.84 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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