SCHEMBL23769210

SCHEMBL23769210

C=Cc1nc(N2CC(C)C(F)(F)C2)ccc1Cn1cc(C(=O)OCC)cn1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.38
GRM2 Q14416 1/20 0.35

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
SCHEMBL23768933 0.89 KLKB1 (0.46) KLKB1
SCHEMBL23769209 0.87 KLKB1 (0.48) KLKB1GRM2
SCHEMBL29906580 0.87 KLKB1 (0.48) KLKB1GRM2
SCHEMBL23769290 0.87 KLKB1 (0.39) KLKB1GRM2
SCHEMBL23769301 0.85 ALDH1A1 (0.43) KLKB1
SCHEMBL23769324 0.85 KLKB1 (0.46) KLKB1GRM2
SCHEMBL29906634 0.85 KLKB1 (0.46) KLKB1GRM2
SCHEMBL30027483 0.85 KLKB1 (0.46) KLKB1GRM2
SCHEMBL23754279 0.85 KLKB1 (0.46) KLKB1GRM2
SCHEMBL23754175 0.80 KLKB1 (0.49) KLKB1GRM2

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