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SCHEMBL2653727

SCHEMBL2653727

CO[C@H](CNC(=O)c1ccc(C(NC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1)C(=O)O.O=C(Nc1ccc2c(c1)C(F)(F)OC(F)(F)O2)NC(c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)c1ccc(C2=CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 19/20 0.62
▸ GIPR P48546 13/20 0.62
▸ GLP1R P43220 4/20 0.53
▸ MCHR1 Q99705 1/20 0.30

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
SCHEMBL6289557 0.90 GCGR (0.73) GCGRGIPRGLP1R
SCHEMBL6289559 0.90 GCGR (0.73) GCGRGIPRGLP1R
SCHEMBL2653725 0.88 GCGR (0.82) GCGRGIPRGLP1R
SCHEMBL6293014 0.84 GCGR (0.70) GCGRGIPRGLP1RMCHR1
SCHEMBL2652684 0.82 GCGR (0.69) GCGRGIPRGLP1RMCHR1
SCHEMBL2651577 0.82 GCGR (0.69) GCGRGIPRGLP1RMCHR1
SCHEMBL2654184 0.82 GCGR (0.69) GCGRGIPRGLP1RMCHR1
SCHEMBL2651396 0.81 GCGR (0.59) GCGRGIPRGLP1R
SCHEMBL2659744 0.78 GCGR (0.52) GCGRGIPRGLP1R
SCHEMBL2659746 0.78 GCGR (0.52) 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