SCHEMBL17786959

SCHEMBL17786959

Cc1cc2c(N)nccc2cc1CNC(=O)c1cn(Cc2cnc(N3CCC(F)(F)C3)nc2)c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.46
▸ KLK1 P06870 7/20 0.46
▸ F11 P03951 2/20 0.41
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNA1I Q9P0X4 1/20 0.37
▸ F9 P00740 3/20 0.37
▸ F10 P00742 2/20 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
SCHEMBL17786938 0.94 KLKB1 (0.46) KLKB1KLK1F11CACNA1GCACNA1H
SCHEMBL17786915 0.92 KLKB1 (0.45) KLKB1KLK1F11F9F10
SCHEMBL17786804 0.91 KLKB1 (0.49) KLKB1KLK1F11F9F10
SCHEMBL17786823 0.89 KLKB1 (0.51) KLKB1KLK1
SCHEMBL17786818 0.88 KLKB1 (0.44) KLKB1KLK1F11CACNA1GCACNA1H
SCHEMBL17787057 0.88 KLKB1 (0.44) KLKB1KLK1F11CACNA1GCACNA1H
SCHEMBL17786912 0.86 KLKB1 (0.46) KLKB1KLK1F11F9F10
SCHEMBL17786857 0.85 KLKB1 (0.42) KLKB1KLK1F11CACNA1GCACNA1H
SCHEMBL17786899 0.83 KLKB1 (0.50) KLKB1KLK1F11CACNA1GCACNA1H
SCHEMBL17786860 0.83 KLKB1 (0.51) 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
Send feedback