SCHEMBL21746997

SCHEMBL21746997

CC(=O)c1cnn(Cc2ccc(N3C[C@@H]4[C@H](CO)[C@@H]4C3)nc2C)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.61
BTK Q06187 1/20 0.42

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
SCHEMBL23469655 0.92 KLKB1 (0.61) KLKB1BTK
SCHEMBL23469656 0.89 KLKB1 (0.60) KLKB1BTK
SCHEMBL23469550 0.88 KLKB1 (0.58) KLKB1BTK
SCHEMBL24105389 0.86 KLKB1 (0.61) KLKB1BTK
SCHEMBL23774082 0.81 BTK (0.59) KLKB1BTK
SCHEMBL30140731 0.81 KLKB1 (0.61) KLKB1
SCHEMBL24105334 0.81 KLKB1 (0.53) KLKB1
SCHEMBL24918815 0.81 KLKB1 (0.51) KLKB1
SCHEMBL24105382 0.81 KLKB1 (0.51) KLKB1
SCHEMBL26310061 0.79 KLKB1 (0.52) 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