SCHEMBL17786789

SCHEMBL17786789

Nc1nccc2c(F)c(CNC(=O)c3cn(Cc4cnc(N5CCCC5)nc4)c(C4CC4)n3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.47
▸ F9 P00740 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ KLK1 P06870 3/20 0.37

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
SCHEMBL17786830 0.91 KLKB1 (0.45) KLKB1KLK1
SCHEMBL17786783 0.89 KLKB1 (0.49) KLKB1KLK1
SCHEMBL17787121 0.89 KLKB1 (0.46) KLKB1KLK1
SCHEMBL17786855 0.87 KLKB1 (0.49) KLKB1F9F10KLK1
SCHEMBL17786893 0.84 KLKB1 (0.48) KLKB1F9F10KLK1
SCHEMBL17787032 0.84 KLKB1 (0.46) KLKB1KLK1
SCHEMBL17786985 0.83 KLKB1 (0.57) KLKB1KLK1
SCHEMBL17787161 0.83 KLKB1 (0.53) KLKB1F9F10KLK1
SCHEMBL17787141 0.82 KLKB1 (0.47) KLKB1KLK1
SCHEMBL17786885 0.82 KLKB1 (0.53) 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 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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