SCHEMBL23769677

SCHEMBL23769677

CCc1nc(N2CC3C(C2)C3(F)F)ccc1Cc1ccc(COC)o1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.36

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
SCHEMBL23843138 0.83 HTT (0.44) KLKB1
SCHEMBL23769367 0.82 NPC1 (0.34) KLKB1
SCHEMBL23769139 0.75 KLKB1 (0.40) KLKB1
SCHEMBL23769540 0.73 KLKB1 (0.34) KLKB1
SCHEMBL23769466 0.72 KLKB1 (0.32) KLKB1
SCHEMBL23843235 0.72 KLKB1 (0.33) KLKB1
SCHEMBL23769176 0.71 PTGER2 (0.35) KLKB1
SCHEMBL23769538 0.71 KLKB1 (0.33) KLKB1
SCHEMBL23754304 0.70 KLKB1 (0.35) KLKB1
SCHEMBL23754303 0.70 KLKB1 (0.35) 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