SCHEMBL2647474

SCHEMBL2647474

Cc1ccc(SCc2c(C(C)C)cc(C(C)C)c(CO)c2-c2ccccc2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.44
GABRA1 P14867 2/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
LMNA P02545 2/20 0.34
TRPA1 O75762 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
SLC37A4 O43826 1/20 0.34
GABRB2 P47870 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL2648244 0.89 GCGR (0.41) GCGRGABRA1GABRG2GABRB3SLC37A4
SCHEMBL2649666 0.87 GCGR (0.42) GCGRGABRA1LMNATRPA1CHRM1
SCHEMBL2649269 0.86 GCGR (0.47) GCGRLMNATRPA1CHRM1SLC6A2
SCHEMBL2648799 0.84 MAPT (0.43) GCGRGABRA1GABRG2GABRB3LMNA
SCHEMBL2648484 0.84 GCGR (0.61) GCGR
SCHEMBL2649457 0.82 GCGR (0.43) GCGRGABRA1GABRG2GABRB3MAPT
SCHEMBL2647585 0.82 GCGR (0.38) GCGRGABRA1SLC37A4GABRB2
SCHEMBL2649436 0.80 GCGR (0.47) GCGRGABRA1GABRG2GABRB3
SCHEMBL2647439 0.80 MAPT (0.47) GCGRLMNAMAPT
SCHEMBL2648098 0.79 GCGR (0.43) GCGRLMNATRPA1CHRM1SLC6A2

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 4 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 claimed
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