SCHEMBL23769369

SCHEMBL23769369

O=C(O)c1cn(Cc2ccc(N3CC4C[C@H]4C3)nc2CO)cn1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 17/20 0.44
BTK Q06187 1/20 0.33
RBP4 P02753 2/20 0.32

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
SCHEMBL23830177 1.00 KLKB1 (0.44) KLKB1BTKRBP4
SCHEMBL29906547 1.00 KLKB1 (0.44) KLKB1BTKRBP4
SCHEMBL23769168 0.91 KLKB1 (0.46) KLKB1RBP4
SCHEMBL23769327 0.90 KLKB1 (0.44) KLKB1
SCHEMBL23769255 0.89 KLKB1 (0.45) KLKB1BTKRBP4
SCHEMBL23769230 0.88 KLKB1 (0.46) KLKB1RBP4
SCHEMBL23769243 0.87 KLKB1 (0.47) KLKB1BTKRBP4
SCHEMBL23769228 0.87 KLKB1 (0.47) KLKB1BTKRBP4
SCHEMBL23769370 0.86 KLKB1 (0.45) KLKB1
SCHEMBL29906530 0.86 KLKB1 (0.45) 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-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO disclosed