SCHEMBL28693254

SCHEMBL28693254

CC(C)(C)OC(=O)N1CCN(c2ccc(C3CC(NC(=O)CCl)C3)cc2)CC1c1ccc(C2CC(NC(=O)CCl)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 17/20 0.49
NR1H3 Q13133 16/20 0.49
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL28680705 0.85 MAPT (0.50) HTTSMN1; SMN2NPSR1NAMPT
SCHEMBL28466498 0.78 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL28690516 0.76 NR1H2 (0.48) NR1H2NR1H3HTTSMN1; SMN2NPSR1
SCHEMBL28679751 0.76 NR1H2 (0.52) NR1H2NR1H3SMN1; SMN2
SCHEMBL19212238 0.72 MAPT (0.42) HTTSMN1; SMN2NPSR1
SCHEMBL28687960 0.72 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL28931799 0.71 NR1H2 (0.51) NR1H2NR1H3NAMPT
SCHEMBL83999 0.70 GPR119 (0.48) NR1H2NR1H3SMN1; SMN2NAMPT
SCHEMBL1673508 0.69 GPR119 (0.48) NR1H2NR1H3NAMPT
SCHEMBL1673505 0.69 GPR119 (0.48) NR1H2NR1H3NAMPT

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