SCHEMBL8539225

SCHEMBL8539225

CCOC(=O)C=C1CCN(Cc2ccccc2)CC1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ADORA1 P30542 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BCHE P06276 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ACHE P22303 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL8539224 1.00 MEN1 (0.47) MEN1KMT2AL3MBTL1ATMLMNA
SCHEMBL15076440 0.88 MCHR1 (0.43) MEN1KMT2ALMNABCHEACHE
SCHEMBL4522120 0.85 SIGMAR1 (0.46) MEN1KMT2ALMNAALDH1A1BCHE
SCHEMBL4522126 0.85 SIGMAR1 (0.46) MEN1KMT2ALMNAALDH1A1BCHE
SCHEMBL31397226 0.85 ACHE (0.44) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL4579407 0.80 KMT2A (0.56) MEN1KMT2ALMNAMAPTADORA1
Hydrochloric Acid SCHEMBL9538926 0.79 MEN1 (0.55) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL8576896 0.78 MEN1 (0.54) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL2831248 0.78 MEN1 (0.54) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL2831250 0.78 MEN1 (0.54) MEN1KMT2ALMNAMAPTADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705258-B1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1998-12-30 EP disclosed
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed
WO-1995000507-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed