SCHEMBL28679751

SCHEMBL28679751

CC(C)(C)OC(=O)N1CCN(c2ccc(CCN)cc2)CC1c1ccc(CCN)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 16/20 0.52
NR1H3 Q13133 15/20 0.52
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 2/20 0.39

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
SCHEMBL28466498 0.88 NR1H2 (0.57) NR1H2NR1H3GPR119
SCHEMBL22957338 0.87 GPR119 (0.51) NR1H2NR1H3MEN1CYP2C19KMT2A
SCHEMBL28690516 0.83 NR1H2 (0.48) NR1H2NR1H3MEN1CYP2C19KMT2A
SCHEMBL28691536 0.82 NR1H2 (0.50) NR1H2NR1H3
SCHEMBL28931799 0.79 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL30741110 0.79 PARP1 (0.44) NR1H2NR1H3
SCHEMBL29707313 0.79 NR1H2 (0.43) NR1H2NR1H3MEN1CYP2C19KMT2A
SCHEMBL19212323 0.79 MAPT (0.60) MEN1CYP2C19KMT2ASMN1; SMN2GPR119
SCHEMBL28687960 0.77 NR1H2 (0.51) NR1H2NR1H3GPR119
SCHEMBL28693254 0.76 NR1H2 (0.49) NR1H2NR1H3SMN1; SMN2

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