SCHEMBL30745375

SCHEMBL30745375

CC(C)(C)OC(=O)N1CCCC1c1ccnc(CO)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ TSHR P16473 6/20 0.43
▸ LMNA P02545 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ RIPK1 Q13546 2/20 0.42
▸ UCHL1 P09936 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL17151081 0.86 LMNA (0.46) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL29953798 0.85 UCHL1 (0.52) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL14240400 0.85 ALDH1A1 (0.43) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL22726599 0.85 UCHL1 (0.52) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL23530227 0.84 ALDH1A1 (0.45) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL30006360 0.84 ALDH1A1 (0.45) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL22473361 0.82 PRMT5 (0.43) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL30053503 0.82 PDE4B (0.56) MAPTHTT
SCHEMBL24791835 0.82 PDE4B (0.56) MAPTHTT
SCHEMBL27168901 0.82 PDE4B (0.56) MAPTHTT

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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