SCHEMBL3403361

SCHEMBL3403361

CCC(CCCCc1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)c1)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 15/20 0.48
GIPR P48546 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAPT P10636 1/20 0.39
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
MAT2A P31153 1/20 0.37
SERPINE1 P05121 1/20 0.36

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
SCHEMBL719164 0.81 GCGR (0.55) GCGRGIPRKCNH2MAPTMAT2A
SCHEMBL3403430 0.75 GCGR (0.59) GCGRGIPRKCNH2MAPTPPARG
SCHEMBL3402377 0.72 PHGDH (0.46)
SCHEMBL721555 0.72 GCGR (0.55) GCGRGIPRKCNH2MAPT
SCHEMBL719587 0.72 GCGR (0.69) GCGRGIPRKCNH2
SCHEMBL721420 0.70 GCGR (0.60) GCGRGIPRKCNH2
SCHEMBL722052 0.69 GCGR (0.48) GCGRGIPRKCNH2
SCHEMBL719157 0.68 GCGR (0.51) GCGRGIPRKCNH2MAPT
SCHEMBL2643230 0.68 GCGR (0.55) GCGRGIPRKCNH2MAPTPPARG
SCHEMBL2643736 0.66 GCGR (0.51) GCGRGIPRKCNH2MAPTPPARG

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