Sugi Predict

Sugi Predict / Compounds / SCHEMBL2665401

SCHEMBL2665401

SCHEMBL2665401

CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)/C(=N\C#N)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 20/20 0.61
▸ GIPR P48546 8/20 0.61
▸ GCG P01275 3/20 0.59
▸ GLP1R P43220 2/20 0.52

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
SCHEMBL2665409 0.93 GCGR (0.59) GCGRGIPRGCGGLP1R
SCHEMBL9070960 0.90 GCGR (0.61) GCGRGIPRGCGGLP1R
SCHEMBL4085463 0.89 GCGR (0.76) GCGRGIPRGCGGLP1R
SCHEMBL4093048 0.89 GCGR (0.76) GCGRGIPRGCGGLP1R
SCHEMBL2653435 0.89 GCGR (0.76) GCGRGIPRGCGGLP1R
SCHEMBL4097364 0.84 GCGR (0.72) GCGRGIPRGCGGLP1R
SCHEMBL9072859 0.84 GCGR (0.71) GCGRGIPRGCGGLP1R
SCHEMBL2663438 0.82 GCGR (0.74) GCGRGIPRGCGGLP1R
SCHEMBL9070955 0.82 GCGR (0.60) GCGRGIPRGCG
SCHEMBL13800790 0.82 GCGR (0.68) GCGRGIPRGCGGLP1R

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