SCHEMBL2649572

SCHEMBL2649572

CCc1c(C(C)C)cc(C(C)C)c(C(C)O)c1-c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.60
USP7 Q93009 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DHFR P00374 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 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
SCHEMBL2647882 0.89 GCGR (0.76) GCGRGABRA1GABRB1HEXAHEXB
SCHEMBL2647492 0.87 GCGR (0.61) GCGRUSP7LMNAHEXAHEXB
SCHEMBL2648264 0.87 GCGR (0.65) GCGR
SCHEMBL2647985 0.86 GCGR (0.80) GCGR
SCHEMBL2648866 0.85 GCGR (0.64) GCGR
SCHEMBL2647794 0.85 GCGR (0.59) GCGR
SCHEMBL2647745 0.84 GCGR (0.62) GCGR
SCHEMBL2648306 0.84 GCGR (0.51) GCGRUSP7GABRA1GABRB1
SCHEMBL2648956 0.79 GCGR (0.47) GCGRMEN1ALDH1A1LMNATP53
SCHEMBL2648686 0.78 GCGR (0.61) GCGRMEN1ALDH1A1KMT2AKCNH2

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
EP-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP claimed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO claimed
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed