SCHEMBL28616290

SCHEMBL28616290

COc1cccc(O[C@@H]2CCN(C=O)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
ACACB O00763 1/20 0.41
BTK Q06187 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37
PDE10A Q9Y233 4/20 0.37
ALOX5 P09917 2/20 0.37
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL21810857 1.00 PDE4B (0.41) PDE4BACACBBTKHRH3PDE3B
SCHEMBL20069362 0.81 CHRM4 (0.48) ACACBPDE3BPDE3APDE10ACHRM2
SCHEMBL21810906 0.79 KDM5A (0.47) ACACBBTKHRH3PDE3BPDE3A
SCHEMBL20137809 0.78 BTK (0.47) ACACBBTKHRH3
SCHEMBL20137808 0.78 BTK (0.47) ACACBBTKHRH3
SCHEMBL20147442 0.77 ACACB (0.39) ACACBHRH3PDE3BPDE3APDE10A
SCHEMBL20152054 0.77 HRH3 (0.48) ACACBHRH3PDE3BPDE3APDE10A
SCHEMBL2244980 0.76 SMN1; SMN2 (0.48) SLC6A2SLC6A4CHRM2CHRM3
SCHEMBL27965500 0.76 SMN1; SMN2 (0.51) PDE4BACACBHRH3CHRM2
SCHEMBL5266382 0.75 HRH3 (0.46) ACACBBTKHRH3KCNH2

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-113302183-A Cyclic ureas 圣瑞诺有限公司 2021-08-24 CN disclosed