SCHEMBL3403430

SCHEMBL3403430

O=C(O)CCNC(=O)c1ccc(NCCCCCCCc2cc3cc(Cl)ccc3n2-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.59
GIPR P48546 1/20 0.59
KCNH2 Q12809 1/20 0.59
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL719587 0.80 GCGR (0.69) GCGRGIPRKCNH2
SCHEMBL3403361 0.75 GCGR (0.48) GCGRGIPRKCNH2PPARGPPARD
SCHEMBL2642977 0.75 GCGR (0.80) GCGRGIPRKCNH2
SCHEMBL2642979 0.75 GCGR (0.80) GCGRGIPRKCNH2
SCHEMBL2662074 0.74 GCGR (1.00) GCGRGIPRKCNH2
SCHEMBL926279 0.74 GCGR (1.00) GCGRGIPRKCNH2
SCHEMBL928245 0.74 GCGR (1.00) GCGRGIPRKCNH2
SCHEMBL2642763 0.74 GCGR (1.00) GCGRGIPRKCNH2
SCHEMBL2644443 0.74 GCGR (1.00) GCGRGIPRKCNH2
SCHEMBL2642764 0.74 GCGR (1.00) GCGRGIPRKCNH2

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
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed