SCHEMBL2650428

SCHEMBL2650428

CC=Cc1c(C(C)C)nc(C(C)C)c(CCO)c1-c1ccccc1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.37
GCGR P47871 5/20 0.37
PTGER1 P34995 4/20 0.37
PTGER4 P35408 4/20 0.37
PTGER3 P43115 4/20 0.37
PTGER2 P43116 4/20 0.37
IDO1 P14902 1/20 0.36
DHODH Q02127 1/20 0.35
MCL1 Q07820 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL2650426 0.84 GCGR (0.43) BRD4GCGRPTGER1PTGER4PTGER3
SCHEMBL2648946 0.83 GCGR (0.44) GCGR
SCHEMBL2647364 0.80 GCGR (0.42) BRD4GCGRMCL1
SCHEMBL2648040 0.80 GCGR (0.42) BRD4GCGRMCL1
SCHEMBL2650233 0.79 PPIA (0.40) BRD4PTGER1PTGER4PTGER3PTGER2
SCHEMBL2650231 0.79 PPIA (0.40) BRD4PTGER1PTGER4PTGER3PTGER2
SCHEMBL2647675 0.77 GCGR (0.47) BRD4GCGR
SCHEMBL2654624 0.76 GCGR (0.49) GCGR
SCHEMBL16253815 0.73 GCGR (0.61) GCGR
SCHEMBL2647951 0.73 GCGR (0.42) BRD4GCGRPTGER1PTGER4PTGER3

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