SCHEMBL30745387

SCHEMBL30745387

CC(C)(C)OC(=O)N1CC=CC1c1nccc(COc2ccc(Cl)cc2F)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 5/20 0.37
▸ GPR119 Q8TDV5 2/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CYP3A4 P08684 2/20 0.34
▸ CYP3A5 P20815 2/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ KCNK3 O14649 2/20 0.33
▸ KCNK9 Q9NPC2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ PTGER3 P43115 1/20 0.33
▸ PTGER2 P43116 1/20 0.33

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
SCHEMBL30745390 1.00 MRGPRX4 (0.37) MRGPRX4GPR119USP30HTR2CSLC6A4
SCHEMBL30745359 0.85 MRGPRX4 (0.39) MRGPRX4GPR119USP30HTR2CSLC6A4
SCHEMBL30745407 0.83 USP30 (0.38) MRGPRX4GPR119USP30CYP3A4CYP3A5
SCHEMBL30745382 0.80 MEN1 (0.36) GPR119CYP3A4KCNK3KCNK9CYP1A2
SCHEMBL30745352 0.78 MRGPRX4 (0.48) MRGPRX4GPR119ALDH1A1CYP1A2CYP2C9
SCHEMBL31413096 0.76 USP30 (0.46) GPR119USP30HTR2CCYP3A4CYP3A5
SCHEMBL24791823 0.75 GPR119 (0.48) MRGPRX4GPR119USP30CYP3A4CYP3A5
SCHEMBL30053719 0.75 GPR119 (0.48) MRGPRX4GPR119USP30CYP3A4CYP3A5
SCHEMBL30745358 0.74 GPR119 (0.42) GPR119USP30
SCHEMBL27478001 0.71 USP30 (0.37) MRGPRX4GPR119USP30HTR2CSLC6A4

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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