SCHEMBL2647675

SCHEMBL2647675

CCCCCc1c(C(C)C)nc(C(C)C)c(C=O)c1-c1ccccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.47
TLR4 O00206 1/20 0.41
TLR3 O15455 1/20 0.41
TLR5 O60602 1/20 0.41
TLR2 O60603 1/20 0.41
CAMK2B Q13554 1/20 0.41
CAMK2G Q13555 1/20 0.41
CAMK2D Q13557 1/20 0.41
CAMK1 Q14012 1/20 0.41
CAMK4 Q16566 1/20 0.41
PNCK Q6P2M8 1/20 0.41
CAMK1D Q8IU85 1/20 0.41
CAMK1G Q96NX5 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
BRD4 O60885 1/20 0.39

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
SCHEMBL2654624 0.89 GCGR (0.49) GCGR
SCHEMBL2650419 0.80 PPIA (0.41) BRD4
SCHEMBL2650428 0.77 BRD4 (0.37) GCGRBRD4
SCHEMBL2648040 0.76 GCGR (0.42) GCGRBRD4
SCHEMBL2647364 0.76 GCGR (0.42) GCGRBRD4
Formaldehyde SCHEMBL27525561 0.75 TLR4 (0.43) GCGRTLR4TLR3TLR5TLR2
SCHEMBL2646901 0.73 GCGR (0.69) GCGR
SCHEMBL27525536 0.72 GCGR (0.46) GCGRTLR4TLR3TLR5TLR2
SCHEMBL2648334 0.71 PTGER1 (0.45) BRD4
SCHEMBL2650231 0.70 PPIA (0.40) BRD4

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-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed