SCHEMBL2648946

SCHEMBL2648946

CC=Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.44
FFAR4 Q5NUL3 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCNT1 O60563 2/20 0.39
CDK2 P24941 2/20 0.39
CDK9 P50750 2/20 0.39
CCNE1 P24864 1/20 0.39
ESR1 P03372 1/20 0.38
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CCNA2 P20248 1/20 0.38
CCNA1 P78396 1/20 0.38

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
SCHEMBL2648438 0.89 GCGR (0.44) GCGRCDK2CDK9
SCHEMBL2650428 0.83 BRD4 (0.37) GCGR
SCHEMBL2648040 0.79 GCGR (0.42) GCGR
SCHEMBL2647364 0.79 GCGR (0.42) GCGR
SCHEMBL2647289 0.79 FFAR4 (0.39) FFAR4L3MBTL1CCNT1CDK2CDK9
SCHEMBL2650426 0.77 GCGR (0.43) GCGR
SCHEMBL2648389 0.75 L3MBTL1 (0.40) FFAR4L3MBTL1CCNT1CDK2CDK9
SCHEMBL2648392 0.75 L3MBTL1 (0.40) FFAR4L3MBTL1CCNT1CDK2CDK9
SCHEMBL2647176 0.74 GCGR (0.75) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL18947919 0.74 GCGR (0.75) GCGRESR1HMGCRCHRM1TBXA2R

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 3 patents. 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
EP-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP disclosed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed