SCHEMBL2666460

SCHEMBL2666460

C=C(NCCC(=O)O)c1ccc(C(CC(=O)c2cccc(C(F)(F)F)c2)C(=O)c2ccc(/C(C)=C/C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 8/20 0.38
▸ GLP1R P43220 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ GPR139 Q6DWJ6 1/20 0.36
▸ GCG P01275 2/20 0.36
▸ GIPR P48546 1/20 0.35
▸ TP53BP1 Q12888 1/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CES2 O00748 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34

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
SCHEMBL2662324 0.81 GCGR (0.51) GCGRGLP1RALDH1A1POLBGCG
SCHEMBL6917620 0.81 GCGR (0.51) GCGRGLP1RALDH1A1POLBGCG
SCHEMBL2653302 0.81 ALDH1A1 (0.47) GCGRGLP1RALDH1A1POLBGCG
SCHEMBL2655272 0.80 ALDH1A1 (0.47) GCGRGLP1RALDH1A1POLBGPR139
SCHEMBL2652499 0.80 GCGR (0.49) GCGRGLP1RALDH1A1POLBGPR139
SCHEMBL2655274 0.80 GCGR (0.49) GCGRGLP1RALDH1A1POLBGPR139
SCHEMBL2666436 0.79 KMO (0.38) GCGRGIPR
SCHEMBL2660981 0.79 GCGR (0.49) GCGRGLP1RALDH1A1POLBGCG
SCHEMBL2653905 0.78 GCGR (0.53) GCGRGIPR
SCHEMBL2655106 0.77 GCGR (0.47) GCGRALDH1A1POLBGCGGIPR

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-2004056763-A2 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-08 — — WO disclosed
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