SCHEMBL30745380

SCHEMBL30745380

CC(C)(C)OC(=O)N1CCC1=Cc1cccc(COc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 12/20 0.47
▸ AR P10275 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 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 0.42
▸ TSHR P16473 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL24791728 0.83 MRGPRX4 (0.48) MRGPRX4KCNH2SMN1; SMN2ALDH1A1MAPT
SCHEMBL30745404 0.74 MRGPRX4 (0.49) MRGPRX4KCNH2SMN1; SMN2ALDH1A1MAPT
SCHEMBL24791720 0.74 MRGPRX4 (0.51) MRGPRX4KCNH2SMN1; SMN2ALDH1A1MAPT
SCHEMBL30745367 0.73 ALDH1A1 (0.49) MRGPRX4KCNH2SMN1; SMN2ALDH1A1MAPT
SCHEMBL24793022 0.73 PDE4B (0.50) MRGPRX4KCNH2SMN1; SMN2ALDH1A1MAPT
SCHEMBL24792598 0.73 PDE4B (0.50) MRGPRX4KCNH2SMN1; SMN2ALDH1A1MAPT
SCHEMBL30745421 0.73 PDE4B (0.50) MRGPRX4KCNH2SMN1; SMN2ALDH1A1MAPT
SCHEMBL24793021 0.73 PDE4B (0.50) MRGPRX4KCNH2SMN1; SMN2ALDH1A1MAPT
SCHEMBL30745379 0.73 MRGPRX4 (0.47) MRGPRX4KCNH2SMN1; SMN2ALDH1A1MAPT
SCHEMBL30745369 0.73 PDE4B (0.50) MRGPRX4KCNH2SMN1; SMN2ALDH1A1MAPT

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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