SCHEMBL738838

SCHEMBL738838

COC(=O)C1(NC(=O)n2c(=O)n(CCN3CCOCC3)c3ccccc32)CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.61
CNR1 P21554 4/20 0.54
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
PRCP P42785 1/20 0.43
KMT2A Q03164 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL4122540 0.89 CNR2 (0.64) CNR2CNR1MEN1ALDH1A1CYP1A2
SCHEMBL735768 0.82 CNR2 (0.62) CNR2CNR1
SCHEMBL13588573 0.79 CNR2 (0.72) CNR2CNR1
SCHEMBL740358 0.76 CNR2 (0.62) CNR2CNR1MEN1KMT2A
SCHEMBL740432 0.76 CNR2 (0.66) CNR2CNR1
SCHEMBL740431 0.76 CNR2 (0.66) CNR2CNR1
SCHEMBL739583 0.76 CNR2 (1.00) CNR2CNR1
SCHEMBL737821 0.76 CNR2 (1.00) CNR2CNR1
SCHEMBL737657 0.74 CNR2 (0.74) CNR2CNR1
SCHEMBL737775 0.74 CNR2 (0.74) CNR2CNR1

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
US-8138177-B2 Benzimidazolone derivatives as CB2 receptor ligands PFIZER INC. (US) 2012-03-20 US claimed
EP-1861377-B1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS PFIZER (US) 2010-12-29 EP disclosed