SCHEMBL2665697

SCHEMBL2665697

O=C(NCC(F)(F)C(=O)O)c1ccc(CN(C(=O)NCc2ccccc2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.54
GIPR P48546 7/20 0.53
STAT3 P40763 4/20 0.49
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MAOA P21397 2/20 0.42
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 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
SCHEMBL2665763 0.89 GCGR (0.49) GCGRGIPRSTAT3OPRM1OPRK1
SCHEMBL2665596 0.84 GCGR (0.58) GCGRGIPRSTAT3OPRM1OPRK1
SCHEMBL9071337 0.84 GCGR (0.64) GCGRGIPRSTAT3HDAC6
SCHEMBL9071334 0.84 GCGR (0.60) GCGRGIPRSTAT3
SCHEMBL2665693 0.84 GCGR (0.64) GCGRGIPRSTAT3HDAC6
SCHEMBL9071354 0.84 GCGR (0.60) GCGRGIPRSTAT3
SCHEMBL2665933 0.84 GCGR (0.62) GCGRGIPRSTAT3OPRM1OPRK1
SCHEMBL2665931 0.83 GCGR (0.63) GCGRGIPRSTAT3
SCHEMBL2665922 0.83 GCGR (0.61) GCGRGIPRSTAT3
SCHEMBL2665923 0.83 GCGR (0.61) GCGRGIPRSTAT3

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-2002040446-A1 GLUCAGON ANTAGONIST/INVERSE AGONIST NOVO NORDISK A/S (DK) 2002-05-23 WO disclosed