SCHEMBL30745393

SCHEMBL30745393

CC(C)(C)OC(=O)N1CC=CC1c1cccc(COc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 12/20 0.47
▸ ALDH1A1 P00352 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ GAA P10253 1/20 0.39

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
SCHEMBL30745367 0.83 ALDH1A1 (0.49) MRGPRX4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL30745352 0.83 MRGPRX4 (0.48) MRGPRX4ALDH1A1MAPTHTTLMNA
SCHEMBL30745350 0.80 NR1H2 (0.42) MAPT
SCHEMBL24793021 0.79 PDE4B (0.50) MRGPRX4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL24793022 0.79 PDE4B (0.50) MRGPRX4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL24792598 0.79 PDE4B (0.50) MRGPRX4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL30745421 0.79 PDE4B (0.50) MRGPRX4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL30745369 0.79 PDE4B (0.50) MRGPRX4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL30745385 0.79 NR1H2 (0.40) —
SCHEMBL30745404 0.79 MRGPRX4 (0.49) MRGPRX4ALDH1A1SMN1; SMN2NPC1RAB9A

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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