SCHEMBL6212413

SCHEMBL6212413

CN(Cc1ccc(-c2ccccc2)c(C(F)(F)F)c1)CC(O)COc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ CNR2 P34972 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ ATM Q13315 1/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ CYP1A2 P05177 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
▸ ALDH1A1 P00352 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5964327 0.90 CNR2 (0.57) MEN1KMT2ACNR2GAAMAPK1
SCHEMBL6212084 0.89 MEN1 (0.59) MEN1KMT2ACNR2GAAMAPK1
SCHEMBL6212990 0.86 MEN1 (0.56) MEN1KMT2ACNR2GAAMAPK1
SCHEMBL5963956 0.83 CNR2 (0.53) MEN1KMT2ACNR2GAAMAPK1
SCHEMBL5964260 0.79 CNR2 (0.60) MEN1KMT2ACNR2GAAMAPK1
SCHEMBL5964288 0.78 CNR2 (0.67) MEN1KMT2ACNR2GAAMAPK1
SCHEMBL5964761 0.78 MEN1 (0.52) MEN1KMT2ACNR2GAAMAPK1
SCHEMBL5964591 0.78 MEN1 (0.48) MEN1KMT2ACNR2GAAMAPK1
SCHEMBL6275388 0.76 KMT2A (0.52) MEN1KMT2APRMT5WDR77CYP2D6
SCHEMBL6194878 0.76 CNR2 (0.77) MEN1KMT2ACNR2ALDH1A1KDM4E

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
EP-1594856-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2005-11-16 — — EP disclosed
WO-2004060882-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-07-22 — — WO disclosed
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