SCHEMBL30745352

SCHEMBL30745352

CC(C)(C)OC(=O)N1CC=CC1c1cccc(COc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 12/20 0.48
▸ ALDH1A1 P00352 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ PTGER1 P34995 2/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL30745366 0.83 MRGPRX4 (0.49) MRGPRX4ALDH1A1DPP4POLBMEN1
SCHEMBL30745393 0.83 MRGPRX4 (0.47) MRGPRX4ALDH1A1LMNAMAPTTSHR
SCHEMBL30745359 0.81 MRGPRX4 (0.39) MRGPRX4ALDH1A1GPR119CYP1A2CYP2C9
SCHEMBL30745417 0.80 MEN1 (0.39) ALDH1A1POLBMEN1LMNAMAPT
SCHEMBL24793341 0.79 MRGPRX4 (0.48) MRGPRX4ALDH1A1POLBRXFP1MEN1
SCHEMBL27168908 0.79 MRGPRX4 (0.48) MRGPRX4ALDH1A1POLBRXFP1MEN1
SCHEMBL30745407 0.79 USP30 (0.38) MRGPRX4ALDH1A1GPR119PTGER1
SCHEMBL30745390 0.78 MRGPRX4 (0.37) MRGPRX4ALDH1A1GPR119CYP1A2CYP2C9
SCHEMBL30745387 0.78 MRGPRX4 (0.37) MRGPRX4ALDH1A1GPR119CYP1A2CYP2C9
SCHEMBL24792024 0.76 MRGPRX4 (0.49) MRGPRX4GPR119CYP1A2CYP2C9PTGER1

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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