SCHEMBL2665031

SCHEMBL2665031

CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 1.00
ADCY6 O43306 8/20 1.00
ADCY3 O60266 8/20 1.00
ADCY9 O60503 8/20 1.00
ADCY5 O95622 8/20 1.00
ADCY8 P40145 8/20 1.00
ADCY7 P51828 8/20 1.00
ADCY2 Q08462 8/20 1.00
ADCY1 Q08828 8/20 1.00
ADCY4 Q8NFM4 8/20 1.00
GIPR P48546 3/20 0.66
GLP1R P43220 2/20 0.66
TRPV1 Q8NER1 1/20 0.55
EPHX2 P34913 1/20 0.55
NR1H4 Q96RI1 1/20 0.55

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
SCHEMBL6917531 0.95 GCGR (0.91) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2665125 0.91 GCGR (0.84) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL11999197 0.88 GCGR (0.78) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL6915972 0.87 GCGR (0.77) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL21528627 0.86 GCGR (0.76) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL21528625 0.86 GCGR (0.76) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL6910198 0.86 GCGR (0.75) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL11999220 0.85 GCGR (0.75) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2664992 0.85 GCGR (0.74) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL4097353 0.84 GCGR (0.72) 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