SCHEMBL31543870

SCHEMBL31543870

CC(C)(C)OC(=O)N1CC2(C=Cc3cc(Br)ccc3O2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.40
▸ RORC P51449 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ USP30 Q70CQ3 3/20 0.38
▸ GPR183 P32249 1/20 0.38
▸ BACE1 P56817 4/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL31235899 0.89 HTR2C (0.44) HTR2CRORCGPR183BACE1IDO1
SCHEMBL34460287 0.80 HTR2C (0.52) HTR2CRORCUSP30BACE1IDO1
SCHEMBL24409035 0.80 GPR119 (0.39) GPR119
SCHEMBL31543847 0.78 DDB1 (0.42) USP30GPR183GPR119
SCHEMBL25342550 0.76 EED (0.38) GPR183
SCHEMBL25342925 0.76 EED (0.38) GPR183
SCHEMBL31738793 0.76 EED (0.38) GPR183
SCHEMBL31236089 0.76 NR1H2 (0.46) HTR2CGPR183GPR119
SCHEMBL31738786 0.75 EED (0.34) RORCGPR183GPR119
SCHEMBL12481459 0.72 HTR2C (0.48) HTR2CIDO1GPR119

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-2025098503-A1 CEREBLON E3 UBIQUITIN LIGASE INHIBITOR 甘李药业股份有限公司 2025-05-15 — — WO disclosed
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