SCHEMBL23769438

SCHEMBL23769438

COCc1nc(N2CC3CC3C2)ccc1Cc1cc(CN[C@@H]2CCc3c2ncn3C)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.39

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
SCHEMBL29906632 0.85 KLKB1 (0.48) KLKB1
SCHEMBL23830201 0.85 KLKB1 (0.48) KLKB1
SCHEMBL23769739 0.78 KLKB1 (0.47) KLKB1
SCHEMBL23769476 0.77 KLKB1 (0.47) KLKB1
SCHEMBL23843184 0.77 KLKB1 (0.47) KLKB1
SCHEMBL23843250 0.73 KLKB1 (0.48) KLKB1
SCHEMBL23769522 0.72 KLKB1 (0.65) KLKB1
SCHEMBL23768974 0.71 KLKB1 (0.47) KLKB1
SCHEMBL23769548 0.71 KLKB1 (0.65) KLKB1
SCHEMBL23769458 0.71 KLKB1 (0.54) 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