SCHEMBL2665113

SCHEMBL2665113

CS(=O)(=O)c1ccc(NC(=O)C(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C3CCCCC3)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.49
ADCY6 O43306 6/20 0.48
ADCY3 O60266 6/20 0.48
ADCY9 O60503 6/20 0.48
ADCY5 O95622 6/20 0.48
ADCY8 P40145 6/20 0.48
ADCY7 P51828 6/20 0.48
ADCY2 Q08462 6/20 0.48
ADCY1 Q08828 6/20 0.48
ADCY4 Q8NFM4 6/20 0.48
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
CYP2D6 P10635 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 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
SCHEMBL2650299 0.85 GCGR (0.40) GCGROPRM1OPRK1CYP2D6PPARD
SCHEMBL2665110 0.84 GCGR (0.50) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2665111 0.82 GCGR (0.58) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2665102 0.82 GCGR (0.63) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2665109 0.81 GCGR (0.57) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL9071461 0.81 GCGR (0.55) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2650298 0.81 GCGR (0.61) GCGROPRM1OPRK1
SCHEMBL2665003 0.81 GCGR (0.62) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2665207 0.81 GCGR (0.62) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2665139 0.81 GCGR (0.62) GCGRADCY6ADCY3ADCY9ADCY5

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-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 WO disclosed