SCHEMBL23768868

SCHEMBL23768868

CCc1nc(N2CC3CC3C2)ccc1Cc1cc(CO)n(CC)n1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.33

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
SCHEMBL23843105 0.83 KLKB1 (0.43) KLKB1
SCHEMBL23769127 0.80 KLKB1 (0.39) KLKB1
SCHEMBL29906631 0.80 KLKB1 (0.39) KLKB1
SCHEMBL23769616 0.80 SMPD3 (0.36) KLKB1
SCHEMBL23830242 0.78 SMPD3 (0.33) KLKB1
SCHEMBL23769649 0.77 KLKB1 (0.43) KLKB1
SCHEMBL23768950 0.76 SMPD3 (0.39) KLKB1
SCHEMBL23769359 0.74 KLKB1 (0.43) KLKB1
SCHEMBL23769648 0.73 KLKB1 (0.39) KLKB1
SCHEMBL23830202 0.71 KLKB1 (0.39) 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