SCHEMBL23769468

SCHEMBL23769468

COCc1cnc(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C)s1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 14/20 0.43

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
SCHEMBL23768773 0.83 KLKB1 (0.40) KLKB1
SCHEMBL23769254 0.82 KLKB1 (0.43) KLKB1
SCHEMBL23843143 0.82 KLKB1 (0.45) KLKB1
SCHEMBL26311972 0.75 KLKB1 (0.44) KLKB1
SCHEMBL23769267 0.73 KLKB1 (0.40) KLKB1
SCHEMBL23769139 0.73 KLKB1 (0.40) KLKB1
SCHEMBL26311956 0.73 KLKB1 (0.44) KLKB1
SCHEMBL23769268 0.73 KLKB1 (0.42) KLKB1
SCHEMBL23769536 0.72 KLKB1 (0.42) KLKB1
SCHEMBL23843065 0.72 KLKB1 (0.44) 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