SCHEMBL23769192

SCHEMBL23769192

COC(=O)c1cn(Cc2ccc(N3CC4CC4C3)nc2C)nc1C#N

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.52

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
SCHEMBL23843084 0.92 KLKB1 (0.49) KLKB1
SCHEMBL26309115 0.92 KLKB1 (0.49) KLKB1
SCHEMBL23769237 0.90 KLKB1 (0.51) KLKB1
SCHEMBL21736731 0.88 KLKB1 (0.60) KLKB1
SCHEMBL21736630 0.85 KLKB1 (0.65) KLKB1
SCHEMBL21736644 0.80 KLKB1 (0.51) KLKB1
SCHEMBL23469546 0.80 KLKB1 (0.57) KLKB1
SCHEMBL23768905 0.79 KLKB1 (0.49) KLKB1
SCHEMBL21736736 0.79 KLKB1 (0.60) KLKB1
SCHEMBL20540977 0.79 KLKB1 (0.63) 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
WO-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO disclosed