SCHEMBL28679798

SCHEMBL28679798

CC(C)(C)OC(=O)N1CCN(c2ccc(C3CC(N)C3)cc2)C(c2ccc(C3CC(N)C3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.42
PDE4B Q07343 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
GPR119 Q8TDV5 8/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NAMPT P43490 2/20 0.39
CNR1 P21554 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL19212239 0.82 MAPT (0.57) GPR119ALDH1A1LMNAMAPTNAMPT
SCHEMBL28691653 0.80 ALDH1A1 (0.42) HDAC6PDE4BHDAC8GPR119ALDH1A1
SCHEMBL38661632 0.79 HDAC6 (0.46) HDAC6HDAC8GPR119ALDH1A1SMARCA2
SCHEMBL4154819 0.79 CNR1 (0.48) HDAC6HDAC8LMNACNR1
SCHEMBL28582864 0.78 GPR119 (0.52) HDAC6PDE4BHDAC8GPR119ALDH1A1
SCHEMBL4177222 0.78 CNR1 (0.47) HDAC6PDE4BHDAC8GPR119ALDH1A1
SCHEMBL38661618 0.77 MEN1 (0.46) HDAC6HDAC8GPR119LMNACNR1
SCHEMBL5377546 0.76 HDAC6 (0.43) HDAC6PDE4BHDAC8GPR119MAPT
SCHEMBL13699555 0.74 HTT (0.52) GPR119ALDH1A1LMNAMAPTNAMPT
SCHEMBL4163959 0.74 NR1D1 (0.46) HDAC6GPR119ALDH1A1LMNACNR1

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-109071560-B Thienopyridine carboxamides as ubiquitin-specific protease inhibitors 瓦洛健康公司 2022-01-14 CN disclosed