SCHEMBL21884070

SCHEMBL21884070

C=C1C(=O)C2CCCN1CC2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 3/20 0.32
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31

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
Methylene Quinuclidinone SCHEMBL1900903 0.91 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4EMAPK1MAPT
Methylene Quinuclidinone SCHEMBL6857718 0.89 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KDM4EMAPK1MAPT
Methylene Quinuclidinone SCHEMBL2229287 0.89 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL10631548 0.67 ENO1 (0.34) ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL5016631 0.61
SCHEMBL18309422 0.61 CHRM3 (0.33)
SCHEMBL6461385 0.59 DAO (0.33) MAPT
SCHEMBL21335045 0.58 DAO (0.39) ALDH1A1MAPTGAA
SCHEMBL14032991 0.57 CHRNB2 (0.37)
SCHEMBL3182637 0.55 DAO (0.33)

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
WO-2020058458-A1 QUINUCLIDINE-3-ONE DERIVATIVES AND THEIR USE IN CANCER TREATMENT APREA THERAPEUTICS AB (SE) 2020-03-26 WO disclosed