SCHEMBL17787089

SCHEMBL17787089

COCc1nn(Cc2cnc(N3CCC(F)(F)C3)nc2)cc1C(=O)NCc1cc2ccnc(N)c2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 17/20 0.61
▸ F11 P03951 9/20 0.61
▸ F2 P00734 1/20 0.47

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
SCHEMBL17786874 0.93 KLKB1 (0.60) KLKB1F11F2
SCHEMBL17786962 0.90 KLKB1 (0.59) KLKB1F11F2
SCHEMBL17786992 0.88 KLKB1 (0.60) KLKB1F11F2
SCHEMBL17787189 0.87 KLKB1 (0.61) KLKB1F11F2
SCHEMBL17786894 0.86 KLKB1 (0.64) KLKB1F11F2
SCHEMBL17786953 0.86 KLKB1 (0.60) KLKB1F11F2
SCHEMBL17787176 0.86 KLKB1 (0.45) KLKB1F11
SCHEMBL17786915 0.83 KLKB1 (0.45) KLKB1F11
SCHEMBL17787125 0.83 KLKB1 (0.45) KLKB1F11
SCHEMBL17787151 0.83 KLKB1 (0.65) KLKB1F11

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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