SCHEMBL29835965

SCHEMBL29835965

COc1cccc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2C2CC2)c1F

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
SCHEMBL17785399 1.00 KLKB1 (1.00) KLKB1
SCHEMBL17785319 0.87 KLKB1 (1.00) KLKB1
SCHEMBL17785394 0.87 KLKB1 (0.85) KLKB1
SCHEMBL17785328 0.87 KLKB1 (1.00) KLKB1
SCHEMBL17785437 0.86 KLKB1 (1.00) KLKB1
SCHEMBL17785401 0.85 KLKB1 (1.00) KLKB1
SCHEMBL17785349 0.85 KLKB1 (0.83) KLKB1
SCHEMBL17785337 0.85 KLKB1 (0.79) KLKB1
SCHEMBL31339402 0.85 KLKB1 (1.00) KLKB1
SCHEMBL17785283 0.85 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
Send feedback