SCHEMBL28697178

SCHEMBL28697178

CC(C)(C)OC(=O)N1CCC(c2ccc(CC#N)cc2Cl)C(c2ccc(CC#N)cc2Cl)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.49
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 1/20 0.41
STS P08842 3/20 0.41
TP53 P04637 1/20 0.41
NR1H2 P55055 1/20 0.40
TACR1 P25103 1/20 0.40
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
NR1D1 P20393 1/20 0.38
DPP4 P27487 1/20 0.38
OPRK1 P41145 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
SCHEMBL28689001 0.88 GPR119 (0.46) GPR119CNR1STSTP53TACR1
SCHEMBL29707387 0.87 GPR119 (0.54) GPR119MEN1MAPTKMT2ACNR1
SCHEMBL19212420 0.87 GPR119 (0.54) GPR119MEN1MAPTKMT2ACNR1
SCHEMBL29707348 0.73 GPR119 (0.51) GPR119MEN1MAPTKMT2ACNR1
SCHEMBL19212180 0.73 GPR119 (0.51) GPR119MEN1MAPTKMT2ACNR1
SCHEMBL17825455 0.73 GPR119 (0.62) GPR119MAPTTP53NR1H2JAK2
SCHEMBL5689743 0.73 GPR119 (0.62) GPR119MAPTTP53NR1H2
SCHEMBL25351802 0.72 GPR119 (0.57) GPR119MEN1KMT2ASTSJAK1
SCHEMBL30535692 0.72 GPR119 (0.57) GPR119MEN1KMT2ASTSJAK1
SCHEMBL1052689 0.71 GPR119 (0.51) GPR119STS

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