SCHEMBL17787097

SCHEMBL17787097

COc1cc2c(N)nccc2cc1CNC(=O)c1cn(Cc2ccc(N3CCCC3)nc2)c(C2CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.58
▸ KLK1 P06870 5/20 0.47
▸ F9 P00740 1/20 0.42
▸ F10 P00742 1/20 0.42

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
SCHEMBL17787161 0.92 KLKB1 (0.53) KLKB1KLK1F9F10
SCHEMBL17786988 0.91 KLKB1 (0.56) KLKB1KLK1
SCHEMBL17787164 0.90 KLKB1 (0.54) KLKB1KLK1
SCHEMBL17786803 0.90 KLKB1 (0.56) KLKB1KLK1
SCHEMBL17786846 0.87 KLKB1 (0.54) KLKB1KLK1
SCHEMBL17787113 0.87 KLKB1 (0.52) KLKB1KLK1
SCHEMBL17786885 0.84 KLKB1 (0.53) KLKB1KLK1
SCHEMBL17786856 0.84 KLKB1 (0.56) KLKB1KLK1
SCHEMBL17787033 0.84 KLKB1 (0.47) KLKB1KLK1
SCHEMBL17786898 0.83 KLKB1 (0.48) KLKB1KLK1F9F10

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 1 patent. 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
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