SCHEMBL17787125

SCHEMBL17787125

COc1cc2c(N)nccc2cc1CNC(=O)c1nc(C)n(Cc2cnc(N3CCC(F)(F)C3)nc2)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 13/20 0.45
▸ KLK1 P06870 5/20 0.44
▸ F9 P00740 7/20 0.44
▸ F10 P00742 6/20 0.44
▸ F11 P03951 2/20 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
SCHEMBL17786912 0.92 KLKB1 (0.46) KLKB1KLK1F9F10F11
SCHEMBL17787176 0.91 KLKB1 (0.45) KLKB1KLK1F9F10F11
SCHEMBL17787140 0.91 KLKB1 (0.46) KLKB1KLK1F9F10F11
SCHEMBL17787215 0.90 KLKB1 (0.48) KLKB1KLK1F9F10
SCHEMBL17787218 0.87 KLKB1 (0.42) KLKB1KLK1F9F10F11
SCHEMBL17787195 0.87 KLKB1 (0.44) KLKB1KLK1F11
SCHEMBL17786915 0.86 KLKB1 (0.45) KLKB1KLK1F9F10F11
SCHEMBL17787059 0.85 KLKB1 (0.44) KLKB1KLK1F11
SCHEMBL17787007 0.85 KLKB1 (0.44) KLKB1KLK1F9F10F11
SCHEMBL17787154 0.85 KLKB1 (0.43) KLKB1KLK1F11

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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