SCHEMBL30028703

SCHEMBL30028703

C=C1C(=O)C2CC3CCCC(C2)N13

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33

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
SCHEMBL8234944 0.61 SLC6A2 (0.33)
SCHEMBL8235864 0.61 MAPK1 (0.35) MAPK1
SCHEMBL5709191 0.60 MAPK1 (0.31) MAPK1
Methylene Quinuclidinone SCHEMBL1900903 0.59 ALDH1A1 (0.38) MAPK1
SCHEMBL21884070 0.58 ALDH1A1 (0.34) MAPK1
Methylene Quinuclidinone SCHEMBL2229287 0.58 ALDH1A1 (0.37) MAPK1
Methylene Quinuclidinone SCHEMBL6857718 0.58 ALDH1A1 (0.37) MAPK1
SCHEMBL15468307 0.57 ALDH1A1 (0.38) MAPK1
Methylene Quinuclidinone SCHEMBL4958476 0.57 ALDH1A1 (0.36) MAPK1
SCHEMBL22428325 0.56 ALDH1A1 (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022175402-A1 QUINUCLIDINE-3-ONE DERIVATIVES APREA THERAPEUTICS AB (SE) 2022-08-25 WO claimed
WO-2022175402-A1 QUINUCLIDINE-3-ONE DERIVATIVES APREA THERAPEUTICS AB (SE) 2022-08-25 WO disclosed