SCHEMBL2659244

SCHEMBL2659244

COc1ccc2c(C(N)=O)cn(CC3CC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.65
CNR2 P34972 14/20 0.65
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CFD P00746 1/20 0.46
ICMT O60725 1/20 0.45

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
SCHEMBL980705 0.84 KDM4E (0.57) CNR1CNR2HDAC1HDAC2HDAC6
SCHEMBL12479681 0.82 CNR1 (0.47) CNR1CNR2HDAC1HDAC2HDAC6
SCHEMBL2076365 0.79 CNR2 (1.00) CNR1CNR2
SCHEMBL1607278 0.78 CNR1 (0.52) CNR1CNR2
SCHEMBL12480004 0.77 SYK (0.44) CNR1CNR2HDAC1HDAC2HDAC6
SCHEMBL7291403 0.77 CNR1 (0.60) CNR1CNR2
SCHEMBL5646976 0.77 CNR1 (0.90) CNR1CNR2
SCHEMBL3581287 0.75 CNR1 (0.66) CNR1CNR2ICMT
SCHEMBL12480795 0.74 ALDH1A1 (0.55) CNR1CNR2CFD
SCHEMBL1993865 0.74 CNR1 (0.52) CNR1CNR2

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-1532980-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed