SCHEMBL2663474

SCHEMBL2663474

COCC(C)(C)C1CCC(NCc2ccc(C(=O)NCCC(=O)O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.53
GIPR P48546 2/20 0.49
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
GLP1R P43220 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
HRH3 Q9Y5N1 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
HDAC1 Q13547 1/20 0.43
CXCR4 P61073 1/20 0.43

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
SCHEMBL2651717 0.89 GCGR (0.61) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL9072855 0.83 GCGR (0.49) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2659480 0.83 GCGR (0.49) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2659554 0.83 GCGR (0.49) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2650729 0.81 GCGR (0.54) GCGRGIPRHRH3EPHX2NR1H4
Trifluoroacetic Acid SCHEMBL2658922 0.80 GCGR (0.48) GCGRGIPRADCY6ADCY3ADCY9
Trifluoroacetic Acid SCHEMBL2658920 0.80 GCGR (0.48) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL9072674 0.78 HDAC1 (0.57) GCGRHRH3HDAC1CXCR4
SCHEMBL13800588 0.78 GCGR (0.47) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2663270 0.77 HRH3 (0.50) GCGRGIPRADCY6ADCY3ADCY9

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