SCHEMBL21746979

SCHEMBL21746979

Cc1nc(N2CC3C(C2)C3(F)F)ccc1Cn1cc(C(N)=O)cn1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.62

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
SCHEMBL21736751 0.91 KLKB1 (0.62) KLKB1
SCHEMBL20541454 0.91 KLKB1 (0.62) KLKB1
Lithium Ion SCHEMBL30140676 0.89 KLKB1 (0.63) KLKB1
SCHEMBL21713014 0.87 KLKB1 (0.59) KLKB1
SCHEMBL30140690 0.87 KLKB1 (0.59) KLKB1
SCHEMBL21746525 0.87 KLKB1 (0.61) KLKB1
SCHEMBL23769200 0.81 KLKB1 (0.51) KLKB1
SCHEMBL23769156 0.80 KLKB1 (0.51) KLKB1
SCHEMBL23768873 0.79 KLKB1 (0.51) KLKB1
SCHEMBL23769188 0.79 KLKB1 (0.50) 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-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 WO disclosed