SCHEMBL29574152

SCHEMBL29574152

CC(C)(C)OC(=O)N1CCCc2ccc(Br)cc2C1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.62
ESR2 Q92731 1/20 0.56
ABHD6 Q9BV23 3/20 0.55
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HDAC1 Q13547 1/20 0.47
MAPK1 P28482 1/20 0.46
RIPK1 Q13546 3/20 0.46
HDAC6 Q9UBN7 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
RORC P51449 2/20 0.42
HSD17B3 P37058 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL24265586 1.00 NR1H2 (0.62) NR1H2ESR2ABHD6NPC1RAB9A
SCHEMBL1263385 0.95 ESR2 (0.63) NR1H2ESR2ABHD6NPC1RAB9A
SCHEMBL29587073 0.92 NR1H2 (0.72) NR1H2ESR2ABHD6NPC1RAB9A
SCHEMBL1011003 0.92 NR1H2 (0.72) NR1H2ESR2ABHD6NPC1RAB9A
Hydrochloric Acid SCHEMBL38653092 0.91 NR1H2 (0.70) NR1H2ESR2ABHD6NPC1RAB9A
SCHEMBL587847 0.87 ESR2 (0.74) NR1H2ESR2ABHD6NPC1RAB9A
SCHEMBL29528794 0.87 ESR2 (0.74) NR1H2ESR2ABHD6NPC1RAB9A
SCHEMBL30951607 0.86 ABHD6 (0.60) NR1H2ESR2ABHD6HDAC1MAPK1
SCHEMBL330056 0.86 ABHD6 (0.60) NR1H2ESR2ABHD6HDAC1MAPK1
SCHEMBL1648703 0.86 ESR2 (0.76) NR1H2ESR2ABHD6NPC1RAB9A

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-116507326-A Compounds as GLP-1R agonists 拓臻制药公司 2023-07-28 CN disclosed
EP-4199919-A1 COMPOUNDS AS GLP-1R AGONISTS Terns Pharmaceuticals, Inc. (US) 2023-06-28 EP disclosed
WO-2022040600-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. (US) 2022-02-24 WO disclosed