SCHEMBL29269441

SCHEMBL29269441

Cc1ccc(OCCC2CCCN(C(=O)OC(C)(C)C)C2)cc1CN

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.47
CHEK2 O96017 2/20 0.44
CYP2C9 P11712 1/20 0.43
BACE1 P56817 2/20 0.43
CTSD P07339 1/20 0.43
KAT7 O95251 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 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
SCHEMBL31269794 0.94 GPR119 (0.51) GPR119CHEK2
SCHEMBL31270108 0.90 CHEK2 (0.53) GPR119CHEK2CYP2C9BACE1CTSD
SCHEMBL31270200 0.90 GPR119 (0.45) GPR119CHEK2
SCHEMBL29269366 0.90 GPR119 (0.53) GPR119CHEK2CYP2C9BACE1CTSD
SCHEMBL31270437 0.89 GPR119 (0.46) GPR119CHEK2CYP2C9BACE1CTSD
SCHEMBL31270241 0.89 GPR119 (0.43) GPR119CHEK2CYP2C9BACE1CTSD
SCHEMBL30283409 0.88 ALDH1A1 (0.40) GPR119CHEK2
SCHEMBL29269380 0.88 ALDH1A1 (0.40) GPR119CHEK2
SCHEMBL29269495 0.87 GPR119 (0.45) GPR119CHEK2CYP2C9KAT7KAT8
SCHEMBL31270183 0.86 SCN9A (0.43) CHEK2CYP2C9BACE1CTSDKAT7

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