SCHEMBL21747013

SCHEMBL21747013

COCc1cc(C(O)c2ccc(N3CC4CC4C3)nc2C)c(Cl)s1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.35

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
SCHEMBL21713055 0.82 KLKB1 (0.34) KLKB1
SCHEMBL21736728 0.79 KLKB1 (0.43) KLKB1
SCHEMBL23768948 0.71 KLKB1 (0.35) KLKB1
SCHEMBL23769543 0.71 KLKB1 (0.38) KLKB1
SCHEMBL29906599 0.71 KLKB1 (0.38) KLKB1
SCHEMBL23843176 0.70 KLKB1 (0.38) KLKB1
SCHEMBL21712933 0.69 KLKB1 (0.39) KLKB1
SCHEMBL23769711 0.66 KLKB1 (0.38) KLKB1
SCHEMBL23769709 0.65 KLKB1 (0.37) KLKB1
SCHEMBL21713078 0.65 KLKB1 (0.48) 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