SCHEMBL31075233

SCHEMBL31075233

CC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC21CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
NR1H2 P55055 2/20 0.46
GPR119 Q8TDV5 1/20 0.42
HDAC1 Q13547 2/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
MAPK1 P28482 1/20 0.39
USP30 Q70CQ3 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 1/20 0.36
LMNA P02545 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
OXTR P30559 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
SCHEMBL29407578 0.88 ESR2 (0.46) ESR2NR1H2HDAC1DDB1CRBN
SCHEMBL22993188 0.88 ESR2 (0.46) ESR2NR1H2HDAC1DDB1CRBN
SCHEMBL12283366 0.84 ESR2 (0.48) ESR2NR1H2HDAC1DDB1CRBN
SCHEMBL29390606 0.84 ESR2 (0.48) ESR2NR1H2HDAC1DDB1CRBN
SCHEMBL29554271 0.84 NR1H2 (0.66) ESR2NR1H2GPR119HDAC1DDB1
SCHEMBL12006705 0.84 NR1H2 (0.66) ESR2NR1H2GPR119HDAC1DDB1
SCHEMBL22993203 0.82 ESR2 (0.46) ESR2NR1H2GPR119HDAC1DDB1
SCHEMBL29388532 0.82 ESR2 (0.46) ESR2NR1H2GPR119HDAC1DDB1
SCHEMBL8280135 0.82 ESR2 (0.56) ESR2NR1H2GPR119HDAC1DDB1
SCHEMBL29835137 0.82 ESR2 (0.56) ESR2NR1H2GPR119HDAC1DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665330-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2025-12-24 EP disclosed
WO-2024173196-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-08-22 WO disclosed