SCHEMBL2665718

SCHEMBL2665718

O=C(NCC(F)(F)C(=O)O)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.80
GIPR P48546 10/20 0.60
GLP1R P43220 2/20 0.58
ADCY6 O43306 1/20 0.49
ADCY3 O60266 1/20 0.49
ADCY9 O60503 1/20 0.49
ADCY5 O95622 1/20 0.49
ADCY8 P40145 1/20 0.49
ADCY7 P51828 1/20 0.49
ADCY2 Q08462 1/20 0.49
ADCY1 Q08828 1/20 0.49
ADCY4 Q8NFM4 1/20 0.49
STAT3 P40763 2/20 0.47

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
SCHEMBL9071336 0.91 GCGR (0.67) GCGRGIPRGLP1RSTAT3
SCHEMBL2665693 0.90 GCGR (0.64) GCGRGIPRGLP1RSTAT3
SCHEMBL9071337 0.90 GCGR (0.64) GCGRGIPRGLP1RSTAT3
SCHEMBL2654581 0.89 GCGR (1.00) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL4095262 0.89 GCGR (1.00) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL2651584 0.88 GCGR (0.78) GCGRGIPRGLP1R
SCHEMBL9071841 0.88 GCGR (0.78) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL9071361 0.87 GCGR (0.62) GCGRGIPRGLP1RSTAT3
SCHEMBL9071332 0.87 GCGR (0.62) GCGRGIPRGLP1RSTAT3
SCHEMBL9071354 0.86 GCGR (0.60) GCGRGIPRGLP1RSTAT3

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