SCHEMBL2663407

SCHEMBL2663407

CC(C)(C)C1CCC(N(Cc2ccc(C(=O)N/C(N=N)=N/N)cc2)C(=O)Cc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.48
GIPR P48546 8/20 0.47
GLP1R P43220 3/20 0.47
ADCY6 O43306 1/20 0.47
ADCY3 O60266 1/20 0.47
ADCY9 O60503 1/20 0.47
ADCY5 O95622 1/20 0.47
ADCY8 P40145 1/20 0.47
ADCY7 P51828 1/20 0.47
ADCY2 Q08462 1/20 0.47
ADCY1 Q08828 1/20 0.47
ADCY4 Q8NFM4 1/20 0.47
MAPK14 Q16539 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL2663154 0.92 GCGR (0.54) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL9072805 0.82 GCGR (0.44) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL2663385 0.81 GCGR (0.41) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL2663354 0.80 GCGR (0.50) GCGRGIPR
SCHEMBL2663411 0.80 GCGR (0.46) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL4092143 0.79 GCGR (0.71) GCGRGIPR
SCHEMBL9072806 0.79 GCGR (0.48) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL9072684 0.79 GCGR (0.46) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL9072692 0.79 GCGR (0.43) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL2663412 0.79 GCGR (0.49) GCGRGIPRGLP1RADCY6ADCY3

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-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed