SCHEMBL21746969

SCHEMBL21746969

Cc1nc(N2CC3CC3C2)ccc1Cn1cc(CO)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.53

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 0.88 KLKB1 (0.51) KLKB1
SCHEMBL21746520 0.84 KLKB1 (0.56) KLKB1
SCHEMBL21736677 0.84 KLKB1 (0.61) KLKB1
SCHEMBL31741492 0.84 KLKB1 (0.61) KLKB1
SCHEMBL31741463 0.80 KLKB1 (0.58) KLKB1
SCHEMBL21736672 0.80 KLKB1 (0.58) KLKB1
SCHEMBL30140714 0.80 KLKB1 (0.45) KLKB1
SCHEMBL21713053 0.80 KLKB1 (0.45) KLKB1
SCHEMBL21746964 0.75 KLKB1 (0.48) KLKB1
SCHEMBL21736676 0.74 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