SCHEMBL2647951

SCHEMBL2647951

CCC/C=C/c1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccccc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
BRD4 O60885 3/20 0.36
MCL1 Q07820 1/20 0.36
IDO1 P14902 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
TLR4 O00206 1/20 0.35
TLR3 O15455 1/20 0.35
TLR5 O60602 1/20 0.35
TLR2 O60603 1/20 0.35
CAMK2B Q13554 1/20 0.35
CAMK2G Q13555 1/20 0.35

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
SCHEMBL2647952 1.00 GCGR (0.42) GCGRALDH1A1LMNAHPGDTSHR
SCHEMBL2650426 0.88 GCGR (0.43) GCGRALDH1A1LMNAHPGDTSHR
SCHEMBL2647364 0.86 GCGR (0.42) GCGRBRD4MCL1
SCHEMBL2648040 0.86 GCGR (0.42) GCGRBRD4MCL1
SCHEMBL2648438 0.78 GCGR (0.44) GCGR
SCHEMBL2654624 0.78 GCGR (0.49) GCGR
SCHEMBL2648021 0.73 GCGR (0.47) GCGR
SCHEMBL2648024 0.73 GCGR (0.47) GCGR
SCHEMBL2647812 0.73 GCGR (0.45) GCGR
SCHEMBL2647814 0.73 GCGR (0.45) GCGR

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