SCHEMBL29835986

SCHEMBL29835986

COc1ccc(CNC(=O)c2cn(Cc3ccc(Cn4cc(C)cn4)cc3)nc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 1.00

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
SCHEMBL17785297 1.00 KLKB1 (1.00) KLKB1
SCHEMBL29835988 0.92 KLKB1 (1.00) KLKB1
SCHEMBL17785306 0.92 KLKB1 (1.00) KLKB1
SCHEMBL17785273 0.90 KLKB1 (1.00) KLKB1
SCHEMBL17785357 0.87 KLKB1 (1.00) KLKB1
SCHEMBL17785345 0.86 KLKB1 (1.00) KLKB1
SCHEMBL31339411 0.85 KLKB1 (1.00) KLKB1
SCHEMBL17785304 0.85 KLKB1 (1.00) KLKB1
SCHEMBL17785292 0.84 KLKB1 (1.00) KLKB1
SCHEMBL29835843 0.84 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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