SCHEMBL30745366

SCHEMBL30745366

CC(C)(C)OC(=O)N1CCCC1c1cccc(COc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 8/20 0.49
▸ TSHR P16473 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ USP30 Q70CQ3 2/20 0.44
▸ UCHL1 P09936 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ DPP4 P27487 1/20 0.40
▸ EPHA2 P29317 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ EPHB4 P54760 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
SCHEMBL27168908 0.85 MRGPRX4 (0.48) MRGPRX4MAPTMEN1KMT2AALDH1A1
SCHEMBL24793341 0.85 MRGPRX4 (0.48) MRGPRX4MAPTMEN1KMT2AALDH1A1
SCHEMBL30745367 0.84 ALDH1A1 (0.49) MRGPRX4TSHRLMNAMAPTNPSR1
SCHEMBL30745352 0.83 MRGPRX4 (0.48) MRGPRX4TSHRLMNAMAPTNPSR1
SCHEMBL30740730 0.83 MRGPRX4 (0.46) MRGPRX4TSHRLMNAMAPTNPSR1
SCHEMBL29826265 0.78 CACNB4 (0.49) MRGPRX4
SCHEMBL30745343 0.76 TSHR (0.44) MRGPRX4TSHRLMNAMAPTNPSR1
SCHEMBL28961568 0.76 ALDH1A1 (0.59) TSHRLMNAMAPTNPSR1MEN1
SCHEMBL31306996 0.76 TSHR (0.44) TSHRLMNAMAPTNPSR1MEN1
SCHEMBL30740732 0.75 MRGPRX4 (0.45) MRGPRX4TSHRLMNAALDH1A1EPHA2

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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