SCHEMBL30745369

SCHEMBL30745369

CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(COc3ccc(Cl)cc3Cl)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.50
▸ TP53 P04637 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MRGPRX4 Q96LA9 6/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KCNH2 Q12809 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ BCL9 O00512 1/20 0.42
▸ CTNNB1 P35222 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
SCHEMBL24793021 1.00 PDE4B (0.50) PDE4BTP53MAPTMRGPRX4SMN1; SMN2
SCHEMBL24793022 1.00 PDE4B (0.50) PDE4BTP53MAPTMRGPRX4SMN1; SMN2
SCHEMBL30745421 1.00 PDE4B (0.50) PDE4BTP53MAPTMRGPRX4SMN1; SMN2
SCHEMBL24792598 1.00 PDE4B (0.50) PDE4BTP53MAPTMRGPRX4SMN1; SMN2
SCHEMBL30053281 0.87 MRGPRX4 (0.55) MAPTMRGPRX4SMN1; SMN2LMNAHPGD
SCHEMBL30745367 0.84 ALDH1A1 (0.49) MAPTMRGPRX4SMN1; SMN2LMNAHPGD
SCHEMBL24793341 0.82 MRGPRX4 (0.48) PDE4BTP53MAPTMRGPRX4SMN1; SMN2
SCHEMBL27168908 0.82 MRGPRX4 (0.48) PDE4BTP53MAPTMRGPRX4SMN1; SMN2
SCHEMBL12279418 0.82 TP53 (0.60) PDE4BTP53MAPTSMN1; SMN2LMNA
SCHEMBL24791720 0.81 MRGPRX4 (0.51) MAPTMRGPRX4SMN1; SMN2LMNAHPGD

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-117545748-A Benzimidazolyl GLP-1GPCR receptor agonists, pharmaceutical compositions comprising the same, and methods of use thereof 卡莫特医疗有限公司 2024-02-09 — — CN disclosed
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