SCHEMBL23469682

SCHEMBL23469682

Cc1nc(N2CCC3(CC3)C2)ccc1Cn1cc(C(=O)O)cn1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.60
BTK Q06187 1/20 0.41

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
SCHEMBL29906644 0.93 KLKB1 (0.60) KLKB1
SCHEMBL21713003 0.93 KLKB1 (0.60) KLKB1
SCHEMBL23469708 0.89 KLKB1 (0.60) KLKB1BTK
SCHEMBL30140695 0.89 KLKB1 (0.56) KLKB1
SCHEMBL23469689 0.88 KLKB1 (0.57) KLKB1BTK
SCHEMBL24105354 0.82 KLKB1 (0.51) KLKB1
SCHEMBL26310061 0.81 KLKB1 (0.52) KLKB1
SCHEMBL23769626 0.80 KLKB1 (0.48) KLKB1
SCHEMBL23769198 0.80 KLKB1 (0.49) KLKB1BTK
SCHEMBL23769195 0.80 KLKB1 (0.47) 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