SCHEMBL28945604

SCHEMBL28945604

COCc1nn(-c2ccc(OC(F)(F)F)cc2)cc1C(c1ccc(C(=O)NCCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.58
GIPR P48546 3/20 0.58
GCG P01275 2/20 0.52
GLP1R P43220 1/20 0.48

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
SCHEMBL719768 0.89 GCGR (0.56) GCGRGIPRGCGGLP1R
SCHEMBL27852545 0.88 GCGR (0.59) GCGRGIPRGCGGLP1R
SCHEMBL27852543 0.86 GCGR (0.56) GCGRGIPRGCGGLP1R
SCHEMBL28794547 0.83 GCG (0.58) GCGRGIPRGCGGLP1R
SCHEMBL718408 0.80 GCG (0.51) GCGRGIPRGCGGLP1R
SCHEMBL3398081 0.80 GCGR (0.58) GCGRGIPRGCGGLP1R
SCHEMBL720622 0.80 GCGR (0.47) GCGRGIPRGCGGLP1R
SCHEMBL717910 0.79 GCGR (0.59) GCGRGIPRGCGGLP1R
SCHEMBL718974 0.79 GCGR (0.57) GCGRGIPRGCGGLP1R
SCHEMBL719392 0.77 GCG (0.51) 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
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed