SCHEMBL30740850

SCHEMBL30740850

CC(C)(C)OC(=O)N1CCCCC1Cc1ccnc(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ PDE8B O95263 1/20 0.41
▸ DAGLA Q9Y4D2 3/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ ABHD6 Q9BV23 2/20 0.39
▸ HCRTR1 O43613 4/20 0.39
▸ HCRTR2 O43614 4/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ METTL3 Q86U44 1/20 0.39
▸ NR1H2 P55055 2/20 0.39
▸ NR1H3 Q13133 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ PDE7B Q9NP56 1/20 0.38

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
SCHEMBL30740781 0.81 KDM1A (0.44) CHEK2KDM1APDE8BDAGLAPRMT5
SCHEMBL30745375 0.80 ALDH1A1 (0.45) —
SCHEMBL30740755 0.80 LNPEP (0.38) CHEK2
SCHEMBL29826339 0.79 FAAH (0.50) —
SCHEMBL24881522 0.78 KDM1A (0.46) KDM1APDE8BDAGLAPRMT5ABHD6
SCHEMBL14939821 0.78 HCRTR1 (0.65) HCRTR1HCRTR2CYP3A4NR1H2NR1H3
SCHEMBL14939819 0.78 HCRTR1 (0.65) HCRTR1HCRTR2CYP3A4NR1H2NR1H3
SCHEMBL14939654 0.78 NR1H2 (0.46) KDM1APDE8BDAGLAPRMT5ABHD6
SCHEMBL20828162 0.78 GPR119 (0.48) KDM1ADAGLAABHD6HCRTR1HCRTR2
SCHEMBL14939652 0.78 NR1H2 (0.46) KDM1APDE8BDAGLAPRMT5ABHD6

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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