SCHEMBL25043915

SCHEMBL25043915

COc1ccc(CN2CC3COCCN3C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ GRM2 Q14416 1/20 0.47
▸ DRD4 P21917 4/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ PDE1A P54750 3/20 0.45
▸ PDE1B Q01064 3/20 0.45
▸ PDE1C Q14123 3/20 0.45
▸ CMA1 P23946 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ MMP13 P45452 1/20 0.42

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
SCHEMBL17926033 0.83 F10 (0.43) TSHRDPP4
SCHEMBL31436243 0.81 SMN1; SMN2 (0.51) SMN1; SMN2DRD4MAPK1PDE1APDE1B
SCHEMBL31495468 0.78 GAA (0.48) SMN1; SMN2GRM2GAACMA1DPP4
Hydrochloric Acid SCHEMBL31570652 0.77 GAA (0.47) SMN1; SMN2GRM2GAACMA1DPP4
Hydrochloric Acid SCHEMBL30713220 0.77 GAA (0.47) SMN1; SMN2GRM2GAACMA1DPP4
SCHEMBL27106825 0.77 DPP4 (0.46) GRM2GAACMA1DPP4MMP1
SCHEMBL31436236 0.76 CMA1 (0.51) SMN1; SMN2PDE1APDE1BPDE1CCMA1
SCHEMBL3611571 0.75 SMN1; SMN2 (0.52) SMN1; SMN2GRM2MAPK1GAAPDE1A
SCHEMBL3610793 0.75 SMN1; SMN2 (0.52) SMN1; SMN2GRM2MAPK1GAAPDE1A
SCHEMBL13547191 0.73 SMN1; SMN2 (0.50) SMN1; SMN2GRM2MAPK1GAAPDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115703765-B Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2025-02-28 — — CN disclosed
CN-115703765-A Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-02-17 — — CN disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 — — WO disclosed
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