SCHEMBL23619623

SCHEMBL23619623

COCC(=O)N(C)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
UCHL1 P09936 1/20 0.44
MAPK1 P28482 1/20 0.44
NR1H2 P55055 1/20 0.44
SCN9A Q15858 1/20 0.43
ABHD6 Q9BV23 3/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ADORA1 P30542 1/20 0.41
ACACB O00763 1/20 0.40
NAMPT P43490 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
P2RX3 P56373 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2810664 0.84 MAPK1 (0.54) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL29587134 0.84 MAPK1 (0.54) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL17687111 0.80 ADORA1 (0.44) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL5776971 0.78 ESR2 (0.50) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL29865391 0.78 ESR2 (0.46) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL31560132 0.77 TRPV1 (0.39) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL30418077 0.76 UCHL1 (0.48) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL10289745 0.76 ESR2 (0.53) ESR2UCHL1MAPK1NR1H2SCN9A
SCHEMBL23611290 0.76 GHSR (0.38) UCHL1
SCHEMBL11997414 0.76 ESR2 (0.55) ESR2UCHL1MAPK1NR1H2SCN9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066417-B Factor XIa inhibitors 上海京新生物医药有限公司 2025-05-02 CN disclosed
CN-115066417-A Factor XIa inhibitors 上海京新生物医药有限公司 2022-09-16 CN disclosed
WO-2021136390-A1 BLOOD COAGULATION FACTOR XIA INHIBITOR 上海京新生物医药有限公司 2021-07-08 WO disclosed