SCHEMBL2653725

SCHEMBL2653725

COC(CNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1)C(=O)O.O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2ccc3c(c2)C(F)(F)OC(F)(F)O3)c2ccc(C3=CCCCC3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCGR P47871 20/20 0.82
GIPR P48546 20/20 0.82
GLP1R P43220 4/20 0.72

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
SCHEMBL2665510 0.91 GCGR (1.00) GCGRGIPRGLP1R
SCHEMBL2653727 0.88 GCGR (0.62) GCGRGIPRGLP1R
SCHEMBL2665502 0.85 GCGR (1.00) GCGRGIPRGLP1R
SCHEMBL6293013 0.85 GCGR (1.00) GCGRGIPRGLP1R
SCHEMBL2665669 0.84 GCGR (0.87) GCGRGIPRGLP1R
SCHEMBL2651186 0.82 GCGR (1.00) GCGRGIPRGLP1R
SCHEMBL2651575 0.82 GCGR (1.00) GCGRGIPRGLP1R
SCHEMBL2651188 0.82 GCGR (1.00) GCGRGIPRGLP1R
Isopropyl Alcohol SCHEMBL2653737 0.81 GCGR (0.95) GCGRGIPRGLP1R
Isopropyl Alcohol SCHEMBL2653735 0.81 GCGR (0.95) GCGRGIPRGLP1R

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
WO-2004063147-A1 SALTS AND SOLVATES OF GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-29 WO disclosed