SCHEMBL2653373

SCHEMBL2653373

CC(C)c1ccc(NC(=O)NC(c2ccc(C(=O)NCC(O)C(=O)O)cc2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.51
GIPR P48546 7/20 0.51
EPHX2 P34913 5/20 0.47
EPHX1 P07099 2/20 0.47
HDAC3 O15379 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DEGS1 O15121 1/20 0.44
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
SERPINE1 P05121 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL2653376 1.00 GCGR (0.51) GCGRGIPREPHX2EPHX1HDAC3
SCHEMBL2653469 0.89 GCGR (0.53) GCGRGIPREPHX2HDAC3HDAC11
SCHEMBL2653471 0.89 GCGR (0.53) GCGRGIPREPHX2HDAC3HDAC11
SCHEMBL2653500 0.88 GCGR (0.66) GCGRGIPREPHX2SERPINE1
SCHEMBL2653501 0.88 GCGR (0.66) GCGRGIPREPHX2SERPINE1
SCHEMBL2653817 0.87 GCGR (0.51) GCGRGIPREPHX2HDAC3HDAC11
SCHEMBL2653815 0.87 GCGR (0.51) GCGRGIPREPHX2HDAC3HDAC11
SCHEMBL2654197 0.86 GCGR (0.53) GCGRGIPREPHX2HDAC3HDAC11
SCHEMBL2654195 0.86 GCGR (0.53) GCGRGIPREPHX2HDAC3HDAC11
SCHEMBL2651592 0.86 GCGR (0.52) GCGRGIPREPHX2EPHX1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953812-B2 Glucagon antagonists/inverse agonists NOVO NORDISK, INC. (DK) 2005-10-11 US claimed
WO-2004063147-A1 SALTS AND SOLVATES OF GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-29 WO claimed
US-6562807-B2 For prophylaxis and therapy of hyperglycemia, Type 1 diabetes, Type 2 diabetes, disorders of the lipid metabolism, such as dyslipidemia, and obesity NOVO NORDISK A/S (DK) 2003-05-13 US claimed
US-6953812-B2 Glucagon antagonists/inverse agonists NOVO NORDISK, INC. (DK) 2005-10-11 US disclosed
WO-2004063147-A1 SALTS AND SOLVATES OF GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-29 WO disclosed