SCHEMBL17786891

SCHEMBL17786891

COCc1nn(Cc2cnc(C3CCNC3)nc2)cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 14/20 0.37
▸ F11 P03951 6/20 0.36
▸ CGAS Q8N884 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ PLAT P00750 1/20 0.33

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
SCHEMBL17786819 0.75 KLKB1 (0.56) KLKB1F11F2
SCHEMBL31352698 0.72 KLKB1 (0.44) KLKB1
SCHEMBL17787030 0.72 KLKB1 (0.46) KLKB1
SCHEMBL17786970 0.70 KLKB1 (0.59) KLKB1F11F2
SCHEMBL24344259 0.70 KLKB1 (0.48) KLKB1
SCHEMBL17786925 0.69 KLKB1 (0.57) KLKB1F11F2
SCHEMBL370508 0.69 KMT2A (0.53) KLKB1
SCHEMBL16246727 0.68 KLKB1 (0.59) KLKB1F11
SCHEMBL17786902 0.67 KLKB1 (0.47) KLKB1
SCHEMBL17786993 0.67 KLKB1 (0.52) 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 disclosed
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