SCHEMBL29835928

SCHEMBL29835928

COc1cccc(CNC(=O)c2cn(Cc3ccc(N4CCCC4)nc3)nc2N)c1F

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.81
▸ F11 P03951 2/20 0.56

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
SCHEMBL17785305 1.00 KLKB1 (0.81) KLKB1F11
SCHEMBL17785353 0.90 KLKB1 (0.80) KLKB1F11
SCHEMBL17785367 0.89 KLKB1 (1.00) KLKB1F11
Hydrochloric Acid SCHEMBL17785323 0.88 KLKB1 (0.93) KLKB1F11
SCHEMBL17785436 0.81 KLKB1 (0.79) KLKB1
SCHEMBL17785319 0.78 KLKB1 (1.00) KLKB1
SCHEMBL17786924 0.78 KLKB1 (0.62) KLKB1F11
SCHEMBL17787151 0.75 KLKB1 (0.65) KLKB1F11
SCHEMBL17785396 0.75 KLKB1 (0.84) KLKB1F11
SCHEMBL20549483 0.74 KLKB1 (0.70) 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
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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