SCHEMBL30740708

SCHEMBL30740708

CC(C)(C)OC(=O)N1CCCCC1=Cc1ccnc(CO)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ POLB P06746 2/20 0.32
▸ UCHL1 P09936 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ ACHE P22303 2/20 0.32
▸ GPR119 Q8TDV5 5/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ CLK3 P49761 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ DYRK2 Q92630 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR7 P34969 1/20 0.31

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
SCHEMBL29826757 0.80 JAK2 (0.43) JAK2JAK1POLBACHEGPR119
SCHEMBL30740727 0.76 HSD11B1 (0.39) UCHL1
SCHEMBL6615893 0.73 HDAC1 (0.49) UCHL1HDAC1HDAC6NR1H2
SCHEMBL31322461 0.72 CTSK (0.40) MPOOPRK1ESR2KDM1ACHRM4
SCHEMBL30115005 0.72 SMN1; SMN2 (0.41) UCHL1ESR2KDM1AHDAC1NR1H2
SCHEMBL30002394 0.69 HPGD (0.37) MPOGPR119ESR2KDM1ACHRM4
SCHEMBL30745375 0.68 ALDH1A1 (0.45) UCHL1
SCHEMBL30740850 0.67 CHEK2 (0.42) KDM1ANR1H2
SCHEMBL31715308 0.67 USP2 (0.39) MPOUCHL1ESR2KDM1ANR1H2
SCHEMBL24791835 0.67 PDE4B (0.56) GPR119

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-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 — — CN disclosed
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