SCHEMBL17787171

SCHEMBL17787171

COCc1nc(C(=O)NCc2cc(OC)c3c(N)nccc3c2)nn1Cc1cnc(N2CCCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 17/20 0.46
▸ F11 P03951 6/20 0.41
▸ KLK1 P06870 5/20 0.40
▸ F2 P00734 1/20 0.39

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
SCHEMBL17787101 0.91 KLKB1 (0.51) KLKB1F11KLK1
SCHEMBL17787163 0.90 KLKB1 (0.48) KLKB1F11KLK1
SCHEMBL17787194 0.90 KLKB1 (0.43) KLKB1F11KLK1
SCHEMBL17787017 0.86 KLKB1 (0.47) KLKB1F11KLK1F2
SCHEMBL17787095 0.84 KLKB1 (0.59) KLKB1F11F2
SCHEMBL17787209 0.83 KLKB1 (0.47) KLKB1F11KLK1
SCHEMBL17786812 0.82 KLKB1 (0.48) KLKB1F11KLK1
SCHEMBL17787191 0.82 KLKB1 (0.58) KLKB1KLK1
SCHEMBL17787047 0.82 KLKB1 (0.51) KLKB1KLK1
SCHEMBL17787082 0.82 KLKB1 (0.52) 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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