SCHEMBL17787121

SCHEMBL17787121

COc1c(CNC(=O)c2cn(Cc3cnc(N4CCCC4)nc3)c(C3CC3)n2)ccc2c(N)nccc12

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.46
▸ F11 P03951 1/20 0.37
▸ KLK1 P06870 3/20 0.36

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
SCHEMBL17787113 0.92 KLKB1 (0.52) KLKB1KLK1
SCHEMBL17786830 0.91 KLKB1 (0.45) KLKB1KLK1
SCHEMBL17787088 0.90 KLKB1 (0.46) KLKB1F11KLK1
SCHEMBL17787219 0.90 KLKB1 (0.46) KLKB1F11KLK1
SCHEMBL17786789 0.89 KLKB1 (0.47) KLKB1KLK1
SCHEMBL17787161 0.86 KLKB1 (0.53) KLKB1KLK1
SCHEMBL17786893 0.84 KLKB1 (0.48) KLKB1KLK1
SCHEMBL17787026 0.84 KLKB1 (0.53) KLKB1KLK1
SCHEMBL17787071 0.83 KLKB1 (0.45) KLKB1KLK1
SCHEMBL17786975 0.83 KLKB1 (0.54) KLKB1KLK1

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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