SCHEMBL2665425

SCHEMBL2665425

N=C(Nc1cc(Br)cc(C(F)(F)F)c1)N(Cc1ccc(C(=O)NCCC(=O)O)cc1)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 20/20 0.60
GIPR P48546 12/20 0.54
GLP1R P43220 3/20 0.44
ADCY6 O43306 1/20 0.42
ADCY3 O60266 1/20 0.42
ADCY9 O60503 1/20 0.42
ADCY5 O95622 1/20 0.42
ADCY8 P40145 1/20 0.42
ADCY7 P51828 1/20 0.42
ADCY2 Q08462 1/20 0.42
ADCY1 Q08828 1/20 0.42
ADCY4 Q8NFM4 1/20 0.42

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
SCHEMBL2665426 0.95 GCGR (0.65) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL4091339 0.92 GCGR (0.71) GCGRGIPRGLP1R
SCHEMBL2665368 0.88 GCGR (0.69) GCGRGIPRGLP1R
SCHEMBL2665379 0.88 GCGR (0.57) GCGRGIPRGLP1R
SCHEMBL2665386 0.88 GCGR (0.57) GCGRGIPRGLP1R
SCHEMBL2663517 0.87 GCGR (0.76) GCGRGIPRGLP1R
SCHEMBL2655359 0.87 GCGR (0.76) GCGRGIPRGLP1R
SCHEMBL2665419 0.86 GCGR (0.68) GCGRGIPRGLP1R
SCHEMBL9072832 0.85 GCGR (0.71) GCGRGIPRGLP1R
SCHEMBL2650904 0.85 GCGR (0.69) 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-2003051357-A1 GLUCAGON RECEPTOR ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed