SCHEMBL29138593

SCHEMBL29138593

O=C1CCC(c2ncc(Cl)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.37
HSD11B1 P28845 4/20 0.36
MAPK1 P28482 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
AOC3 Q16853 1/20 0.32
SRD5A1 P18405 1/20 0.31
PDE9A O76083 1/20 0.31
PIM1 P11309 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL11086191 0.83 MAPK1 (0.39) HSD11B1MAPK1AOC3
SCHEMBL22321307 0.77 ESR2 (0.41) ESR2HSD11B1DDB1CRBNJAK2
SCHEMBL1332981 0.75 MAPK1 (0.35) HSD11B1MAPK1AOC3
SCHEMBL14734253 0.73 HTR3A (0.41) MAPK1
Hydrochloric Acid SCHEMBL30758569 0.72 HTR3A (0.40) MAPK1
SCHEMBL17101636 0.72 MAPK1 (0.62) MAPK1PIM1
SCHEMBL17101604 0.69 PTGDR2 (0.44)
SCHEMBL1739269 0.68 CHRNB2 (0.39) HSD11B1
SCHEMBL18965272 0.67 PARP1 (0.39) HSD11B1PDE9A
SCHEMBL29138584 0.67 MAPK1 (0.37) HSD11B1MAPK1

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-117247395-A PDE4B inhibitors 武汉人福创新药物研发中心有限公司 2023-12-19 CN disclosed