SCHEMBL28689001

SCHEMBL28689001

CC(C)(C)OC(=O)N1CCC(c2ccc(CO)cc2Cl)C(c2ccc(CO)cc2Cl)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.46
CNR1 P21554 1/20 0.44
STS P08842 3/20 0.43
TACR1 P25103 1/20 0.42
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
TP53 P04637 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
DPP4 P27487 1/20 0.40
OPRK1 P41145 1/20 0.40
NR1D1 P20393 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP30 Q70CQ3 1/20 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
SCHEMBL28697178 0.88 GPR119 (0.49) GPR119CNR1STSTACR1PARP1
SCHEMBL19212180 0.85 GPR119 (0.51) GPR119CNR1STSTP53SMN1; SMN2
SCHEMBL29707348 0.85 GPR119 (0.51) GPR119CNR1STSTP53SMN1; SMN2
SCHEMBL18617599 0.77 TACR1 (0.48) GPR119STSTACR1JAK2JAK1
SCHEMBL20672066 0.75 TACR1 (0.49) GPR119STSTACR1JAK2JAK1
SCHEMBL17595292 0.74 PDE4B (0.55) GPR119STSTACR1TP53JAK2
SCHEMBL18618119 0.74 PDE4B (0.55) GPR119STSTACR1TP53JAK2
SCHEMBL19092639 0.74 GPR119 (0.51) GPR119TP53DPP4SMN1; SMN2
SCHEMBL19212385 0.74 STS (0.46) GPR119CNR1STSTP53DPP4
SCHEMBL29707368 0.74 STS (0.46) GPR119CNR1STSTP53DPP4

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