SCHEMBL28614518

SCHEMBL28614518

CCOC(=O)c1cnc(N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.51
ACACB O00763 5/20 0.48
ATM Q13315 1/20 0.45
GPR119 Q8TDV5 7/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.41
OGA O60502 1/20 0.41
SCD5 Q86SK9 1/20 0.41

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
SCHEMBL32679621 0.95 ACACB (0.46) CYP11B2ACACBATMGPR119MAPT
SCHEMBL12723192 0.94 CYP3A4 (0.48) CYP11B2ACACBATMGPR119MAPT
SCHEMBL12480371 0.86 GPR119 (0.56) ATMGPR119MAPTOGA
SCHEMBL23742297 0.82 CYP11B2 (0.56) CYP11B2ACACBGPR119MAPTCYP3A4
SCHEMBL28597527 0.82 ACACB (0.54) ACACBNPSR1CYP3A4OGA
SCHEMBL24992878 0.81 ATM (0.46) CYP11B2ACACBATMGPR119MAPT
SCHEMBL485352 0.81 CYP3A4 (0.62) CYP11B2GPR119MAPTCYP3A4SCD5
SCHEMBL484867 0.81 CYP11B2 (0.54) CYP11B2ACACBGPR119MAPTCYP3A4
SCHEMBL25035458 0.80 GPR119 (0.45) CYP11B2ACACBGPR119MAPT
SCHEMBL17830844 0.78 ATM (0.42) ATMGPR119MAPTNPSR1

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-109810108-B 2, 8-diaza-spiro- [4,5] -decane pyrimidine-hydroxamic acid compound and application thereof 华东理工大学 2021-08-06 CN disclosed