SCHEMBL23769409

SCHEMBL23769409

CCOC(=O)c1cnn(Cc2ccc(N3CC(C)C(F)(F)C3)cc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
KLKB1 P03952 6/20 0.38
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RORC P51449 2/20 0.33
ENPP2 Q13822 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ALOX5AP P20292 4/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL23769658 0.88 GRM2 (0.35) GRM2KLKB1
SCHEMBL23753977 0.86 KLKB1 (0.42) GRM2KLKB1DPP4DPP8DPP9
SCHEMBL23768933 0.83 KLKB1 (0.46) KLKB1
SCHEMBL23769290 0.81 KLKB1 (0.39) GRM2KLKB1
SCHEMBL23769504 0.81 NOTUM (0.39) KLKB1ALDH1A1TDP1HPGDALOX15
SCHEMBL23769210 0.80 KLKB1 (0.38) GRM2KLKB1
SCHEMBL23754334 0.78 KLKB1 (0.43) GRM2KLKB1DPP4DPP8DPP9
SCHEMBL3089096 0.78 KLKB1 (0.54) GRM2KLKB1DPP4DPP8DPP9
SCHEMBL23754004 0.77 KLKB1 (0.42) GRM2KLKB1DPP4DPP8DPP9
SCHEMBL29906584 0.77 KLKB1 (0.42) GRM2KLKB1DPP4DPP8DPP9

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