SCHEMBL2651641

SCHEMBL2651641

O=C(O)CCNC(=O)c1ccc(C(=O)[C@@H](CC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.47
GCGR P47871 9/20 0.45
GIPR P48546 2/20 0.44
GLP1R P43220 1/20 0.44
GCG P01275 9/20 0.44
KDM1A O60341 1/20 0.41

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
SCHEMBL2647399 1.00 PPARD (0.47) PPARDGCGRGIPRGLP1RGCG
SCHEMBL2652188 1.00 PPARD (0.47) PPARDGCGRGIPRGLP1RGCG
SCHEMBL2655420 0.96 PPARD (0.47) PPARDGCGRGIPRGLP1RGCG
SCHEMBL2660786 0.93 GCGR (0.46) PPARDGCGRGIPRGLP1RGCG
SCHEMBL2646197 0.91 PPARD (0.45) PPARDGCGRGIPRGLP1RGCG
SCHEMBL2653731 0.90 HAO1 (0.46) PPARDGCGR
SCHEMBL2666470 0.90 PPARD (0.45) PPARDGCGRGIPRGLP1RGCG
SCHEMBL6755406 0.88 GCGR (0.49) GCGR
SCHEMBL6756859 0.88 GCGR (0.49) GCGR
SCHEMBL2646694 0.88 GCGR (0.49) GCGR

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