SCHEMBL9070784

SCHEMBL9070784

O=C(O)CCNC(=O)c1ccc(NC(c2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)C2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.55
GIPR P48546 2/20 0.55
GLP1R P43220 1/20 0.55
GCG P01275 14/20 0.54
NME4 O00746 1/20 0.42
GCDH Q92947 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42

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
SCHEMBL719340 0.83 GCGR (0.55) GCGRGIPRGLP1RGCG
SCHEMBL3109173 0.80 GCGR (0.53) GCGRGIPRGLP1RGCG
SCHEMBL3107093 0.78 GCGR (0.53) GCGRGIPRGLP1RGCG
SCHEMBL3089962 0.78 GCGR (0.53) GCGRGIPRGLP1RGCG
SCHEMBL3104394 0.78 GCGR (0.53) GCGRGIPRGLP1RGCG
SCHEMBL13271305 0.77 GCGR (0.52) GCGRGIPRGLP1RGCG
SCHEMBL3104664 0.77 GCGR (0.51) GCGRGIPRGLP1RGCG
SCHEMBL3102340 0.77 GCGR (0.51) GCGRGIPRGLP1RGCG
SCHEMBL717517 0.76 GCG (0.54) GCGRGIPRGLP1RGCG
SCHEMBL719867 0.76 GCG (0.54) GCGRGIPRGLP1RGCG

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-2009110520-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-09-11 WO disclosed