SCHEMBL31319981

SCHEMBL31319981

CC(C)(C)OC(=O)N1C2CCC1CN(c1ccc(Cl)c(F)c1)C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
JAK1 P23458 3/20 0.43
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
HDAC1 Q13547 1/20 0.42
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
GPR119 Q8TDV5 7/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CHRNA3 P32297 1/20 0.38
KCNK3 O14649 2/20 0.38
KCNK9 Q9NPC2 2/20 0.38
RET P07949 1/20 0.38
CHRM5 P08912 1/20 0.37

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
SCHEMBL30426475 0.86 HDAC1 (0.48) HSD11B1JAK1CHRM2CHRM1CHRM3
SCHEMBL29577611 0.85 JAK1 (0.45) HSD11B1JAK1CHRM2CHRM1CHRM3
SCHEMBL21457806 0.85 JAK1 (0.45) HSD11B1JAK1CHRM2CHRM1CHRM3
SCHEMBL29577284 0.82 DPP4 (0.42) HSD11B1JAK1CHRM2CHRM1CHRM3
SCHEMBL21457826 0.82 DPP4 (0.42) HSD11B1JAK1CHRM2CHRM1CHRM3
SCHEMBL30427174 0.82 HSD11B1 (0.44) HSD11B1JAK1CHRM2CHRM1CHRM3
SCHEMBL31105124 0.82 HSD11B1 (0.44) HSD11B1JAK1CHRM2CHRM1CHRM3
SCHEMBL19212120 0.82 HSD11B1 (0.43) HSD11B1JAK1CHRM2CHRM1CHRM3
SCHEMBL19212044 0.81 HSD11B1 (0.41) HSD11B1JAK1CHRM2CHRM1CHRM3
SCHEMBL29707434 0.81 HSD11B1 (0.41) HSD11B1JAK1CHRM2CHRM1CHRM3

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-119219637-A Aromatic heterobicyclic compounds and antiviral uses thereof 苏州爱科百发生物医药技术有限公司 2024-12-31 CN disclosed