SCHEMBL29835875

SCHEMBL29835875

Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc(O)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 1.00
▸ F11 P03951 1/20 0.60

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
SCHEMBL17785318 1.00 KLKB1 (1.00) KLKB1F11
SCHEMBL17785319 0.88 KLKB1 (1.00) KLKB1
SCHEMBL17785412 0.86 KLKB1 (1.00) KLKB1
SCHEMBL17785339 0.80 KLKB1 (1.00) KLKB1
SCHEMBL29835922 0.80 KLKB1 (1.00) KLKB1
SCHEMBL17785402 0.79 KLKB1 (1.00) KLKB1F11
SCHEMBL17785340 0.79 KLKB1 (1.00) KLKB1F11
SCHEMBL17785295 0.79 KLKB1 (1.00) KLKB1
SCHEMBL21145545 0.78 KLKB1 (1.00) KLKB1
SCHEMBL17785328 0.77 KLKB1 (1.00) KLKB1

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
EP-4039681-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-08-10 — — EP disclosed
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