SCHEMBL28474209

SCHEMBL28474209

CC(C)(C)OC(=O)N1CC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.47
ALDH1A1 P00352 1/20 0.47
ALDH3A1 P30838 1/20 0.45
WNK1 Q9H4A3 2/20 0.44
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43

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
SCHEMBL1700079 0.91 MAPT (0.48) ALDH1A1WNK1BCL2BCL2L1
SCHEMBL4445873 0.90 GPR119 (0.54) GPR119ALDH1A1
SCHEMBL16657351 0.85 MAPT (0.47) GPR119ALDH1A1
SCHEMBL2252021 0.85 USP30 (0.45) ALDH1A1WNK1
SCHEMBL16485883 0.85 LMNA (0.48) ALDH1A1
SCHEMBL13543525 0.84 GPR119 (0.64) GPR119
SCHEMBL3609601 0.84 GPR119 (0.64) GPR119
SCHEMBL28475966 0.84 GPR119 (0.49) GPR119
SCHEMBL1700253 0.83 MAPT (0.50) GPR119ALDH1A1ALDH3A1WNK1BCL2
SCHEMBL2483201 0.83 MAPT (0.50) GPR119ALDH1A1ALDH3A1WNK1BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111704613-B Imidazole derivatives and their use as TRPV4 inhibitors 中国人民解放军军事科学院军事医学研究院 2021-07-06 CN disclosed
CN-111704613-A Imidazole derivatives and their use as TRPV4 inhibitors 中国人民解放军军事科学院军事医学研究院 2020-09-25 CN disclosed