SCHEMBL4649780

SCHEMBL4649780

CC(C)c1cc(Nc2cc(F)cc(F)c2)ncc1CN(C)C1CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.37
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ABCB11 O95342 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
PDE4A P27815 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTT P42858 1/20 0.31
RPS6KA6 Q9UK32 1/20 0.31

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
SCHEMBL4650258 0.97 CNR2 (0.33) CNR2
SCHEMBL4649736 0.83 CDK4 (0.38) CNR2SCN1ASCN5ASCN8ACYP2D6
SCHEMBL4649071 0.83 CNR2 (0.37) CNR2SCN1ASCN5ASCN8AKCNH2
SCHEMBL4649631 0.82 CNR2 (0.56) CNR2KDM4ECDK5
SCHEMBL4649775 0.82 CNR2 (0.40) CNR2MEN1KMT2ACYP2D6CYP3A4
SCHEMBL4649781 0.79 CNR2 (0.46) CNR2CYP2D6KCNH2CYP3A4
SCHEMBL4648963 0.78 KDM4E (0.46) CNR2MEN1KMT2ALMNAHTT
SCHEMBL4649712 0.78 CNR2 (0.54) CNR2SCN1ASCN5ASCN8ASLC6A2
SCHEMBL4649624 0.77 CNR2 (0.42) CNR2MEN1KMT2ACYP2D6LMNA
SCHEMBL4649692 0.77 CNR2 (0.50) CNR2CYP2D6LMNACYP3A4CHEK1

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
EP-1718613-B1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-09-03 EP disclosed