SCHEMBL23469656

SCHEMBL23469656

COC(=O)c1cnn(Cc2ccc(N3CC4C(CO)C4C3)nc2C)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.60
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
SCHEMBL23469550 0.91 KLKB1 (0.58) KLKB1BTK
SCHEMBL23469655 0.89 KLKB1 (0.61) KLKB1BTK
SCHEMBL21746997 0.89 KLKB1 (0.61) KLKB1BTK
SCHEMBL23469529 0.88 KLKB1 (0.51) KLKB1
SCHEMBL24105382 0.83 KLKB1 (0.51) KLKB1
SCHEMBL24918815 0.83 KLKB1 (0.51) KLKB1
SCHEMBL18815404 0.82 BTK (0.59) KLKB1BTK
SCHEMBL20549564 0.82 BTK (0.59) KLKB1BTK
SCHEMBL18815409 0.82 BTK (0.59) KLKB1BTK
SCHEMBL22134224 0.80 KLKB1 (0.71) KLKB1BTK

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
EP-3612523-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-09 EP disclosed