SCHEMBL738109

SCHEMBL738109

CC[C@@]1(C(=O)O)CCCC[C@@H]1NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.65
CNR1 P21554 4/20 0.56
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR3A P46098 1/20 0.42
HTR4 Q13639 1/20 0.42

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
SCHEMBL739583 0.79 CNR2 (1.00) CNR2CNR1
SCHEMBL737821 0.79 CNR2 (1.00) CNR2CNR1
SCHEMBL737883 0.78 CNR2 (0.80) CNR2CNR1
SCHEMBL737757 0.78 CNR2 (0.80) CNR2CNR1
SCHEMBL4122540 0.77 CNR2 (0.64) CNR2CNR1TMEM97SIGMAR1
SCHEMBL737679 0.76 CNR2 (0.81) CNR2CNR1TMEM97SIGMAR1HTR3A
SCHEMBL738108 0.75 CNR2 (0.71) CNR2CNR1TMEM97SIGMAR1
SCHEMBL13588573 0.75 CNR2 (0.72) CNR2CNR1
SCHEMBL736660 0.75 CNR2 (0.74) CNR2CNR1
SCHEMBL738882 0.74 CNR2 (0.71) CNR2CNR1TMEM97SIGMAR1HTR3A

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
US-8138177-B2 Benzimidazolone derivatives as CB2 receptor ligands PFIZER INC. (US) 2012-03-20 US claimed