SCHEMBL29269372

SCHEMBL29269372

Cc1cc(C)c(OCCC2CCCN(C(=O)OC(C)(C)C)C2)cc1CNC(=O)[C@@H](N)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.46
BCHE P06276 4/20 0.46
USP30 Q70CQ3 2/20 0.41
ACKR3 P25106 1/20 0.41
KAT7 O95251 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
EPHX2 P34913 1/20 0.39
CYP2C9 P11712 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
PPARG P37231 2/20 0.38
KDM1A O60341 1/20 0.37
SCN9A Q15858 1/20 0.37
YAP1 P46937 1/20 0.37

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
SCHEMBL29269374 1.00 HTR6 (0.46) HTR6BCHEUSP30ACKR3KAT7
SCHEMBL29269496 0.91 HTR6 (0.44) HTR6BCHEUSP30ACKR3KAT7
SCHEMBL29269498 0.91 HTR6 (0.44) HTR6BCHEUSP30ACKR3KAT7
SCHEMBL29269478 0.89 HTR6 (0.45) HTR6BCHEUSP30ACKR3KAT7
SCHEMBL30283224 0.89 HTR6 (0.45) HTR6BCHEUSP30ACKR3KAT7
SCHEMBL29269477 0.89 HTR6 (0.45) HTR6BCHEUSP30ACKR3KAT7
SCHEMBL29269406 0.87 HTR6 (0.43) HTR6BCHEACKR3KAT7KAT8
SCHEMBL30283472 0.87 BCHE (0.44) HTR6BCHEACKR3KAT7KAT8
SCHEMBL29269472 0.87 BCHE (0.44) HTR6BCHEACKR3KAT7KAT8
SCHEMBL29269379 0.86 HTR6 (0.45) HTR6BCHEUSP30ACKR3PPARG

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
CN-118251383-A Macrocyclic compounds as proteasome beta subunit type 5 inhibitors 利德探索中心有限公司 2024-06-25 CN disclosed