SCHEMBL21746520

SCHEMBL21746520

Cc1nc(N2CC3CC3C2)ccc1Cn1cc(CO)nc1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.56

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
SCHEMBL21746970 0.86 KLKB1 (0.51) KLKB1
SCHEMBL21746969 0.84 KLKB1 (0.53) KLKB1
SCHEMBL31741509 0.84 KLKB1 (0.64) KLKB1
SCHEMBL21736675 0.84 KLKB1 (0.64) KLKB1
SCHEMBL31741486 0.82 KLKB1 (0.64) KLKB1
SCHEMBL21736667 0.82 KLKB1 (0.64) KLKB1
SCHEMBL30140714 0.78 KLKB1 (0.45) KLKB1
SCHEMBL21713053 0.78 KLKB1 (0.45) KLKB1
SCHEMBL21746964 0.73 KLKB1 (0.48) KLKB1
SCHEMBL21736676 0.72 KLKB1 (0.60) 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