SCHEMBL8090185

SCHEMBL8090185

C=CCN1C(=O)C(CC)CCC1(C)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SRD5A2 P31213 1/20 0.31
FAAH O00519 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8088015 0.84 SRD5A2 (0.33) KDM4EMEN1APAF1LMNAMAPT
SCHEMBL8091709 0.78 CYP1A2 (0.33)
SCHEMBL3706674 0.75 KDM4E (0.32) KDM4EMEN1APAF1LMNAMAPT
SCHEMBL28038102 0.67 SMN1; SMN2 (0.34) LMNAMAPTALDH1A1
SCHEMBL4338458 0.63
SCHEMBL8089735 0.61 CYP1A2 (0.35) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL21366841 0.59 ELANE (0.30)
SCHEMBL29471355 0.59 NPSR1 (0.32) MAPT
SCHEMBL17596363 0.58 HDAC3 (0.36) MEN1LMNAMAPTKMT2AFAAH
SCHEMBL9115545 0.58 FAAH (0.31) FAAHALDH1A1

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-2009013535-A1 2-AZABICYCLO(2.2.2)OCTANE DERIVATIVES AS MODULATORS OF THE GLYCINE TRANSPORTER I RECEPTOR ASTRAZENECA AB (SE) 2009-01-29 WO disclosed