SCHEMBL30121847

SCHEMBL30121847

Cc1nc2ccc(Br)cc2cc1CC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.41
▸ MTNR1B P49286 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ GRM1 Q13255 4/20 0.40
▸ CASP3 P42574 3/20 0.39
▸ PRNP P04156 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NR2E3 Q9Y5X4 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL24745514 1.00 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1HTTGRM1
SCHEMBL24745431 0.90 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1HTTCASP3
SCHEMBL24744929 0.84 KDM4E (0.52) MTNR1AMTNR1BALDH1A1NPC1MAPT
SCHEMBL29098575 0.83 KDM4E (0.44) MTNR1AMTNR1BALDH1A1HTTGRM1
SCHEMBL24745633 0.81 GRM1 (0.48) ALDH1A1HTTGRM1CASP3PRNP
SCHEMBL30122010 0.81 GRM1 (0.48) ALDH1A1HTTGRM1CASP3PRNP
SCHEMBL24746866 0.81 MAPT (0.40) ALDH1A1HTTGRM1MAPT
SCHEMBL2254145 0.76 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1NPC1MAPT
SCHEMBL24745619 0.76 KDM4E (0.47) MTNR1AMTNR1BALDH1A1RXFP1NPC1
SCHEMBL8354251 0.76 GRM1 (0.50) ALDH1A1HTTGRM1CASP3RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630414-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN Captor Therapeutics S.A. (PL) 2025-10-15 — — EP disclosed
WO-2024121256-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2024-06-13 — — WO disclosed
EP-4347579-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN Captor Therapeutics S.A. (PL) 2024-04-10 — — EP disclosed
WO-2022253713-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 — — WO disclosed
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