SCHEMBL17786946

SCHEMBL17786946

O=C(NCc1cc2c(Cl)c[nH]c2cn1)c1cn(Cc2ccc(N3CCCC3)nc2)nc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.65
▸ F11 P03951 1/20 0.52
▸ KLK1 P06870 1/20 0.48

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
SCHEMBL17786882 0.83 KLKB1 (0.68) KLKB1F11KLK1
SCHEMBL17786913 0.83 KLKB1 (0.65) KLKB1F11KLK1
SCHEMBL17786904 0.80 KLKB1 (0.72) KLKB1F11
SCHEMBL17786828 0.78 KLKB1 (0.67) KLKB1
SCHEMBL18544555 0.76 KLKB1 (0.80) KLKB1F11KLK1
SCHEMBL17693890 0.76 KLKB1 (1.00) KLKB1
SCHEMBL31339412 0.74 KLKB1 (0.63) KLKB1F11KLK1
SCHEMBL16246724 0.74 KLKB1 (0.63) KLKB1F11KLK1
SCHEMBL19471912 0.74 KLKB1 (1.00) KLKB1
SCHEMBL17785367 0.73 KLKB1 (1.00) KLKB1F11KLK1

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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