SCHEMBL23769362

SCHEMBL23769362

Cc1nc(N2CC3CC3C2)ccc1Cc1cc(C(O)O)co1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.44

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
SCHEMBL23843206 0.82 KLKB1 (0.52) KLKB1
SCHEMBL23769419 0.79 KLKB1 (0.47) KLKB1
SCHEMBL23830246 0.75 KLKB1 (0.44) KLKB1
SCHEMBL21713053 0.73 KLKB1 (0.45) KLKB1
SCHEMBL30140714 0.73 KLKB1 (0.45) KLKB1
SCHEMBL23769361 0.72 KLKB1 (0.54) KLKB1
SCHEMBL23769422 0.70 KLKB1 (0.49) KLKB1
SCHEMBL23830159 0.69 KLKB1 (0.45) KLKB1
SCHEMBL21736728 0.68 KLKB1 (0.43) KLKB1
SCHEMBL23754174 0.67 KLKB1 (0.41) 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