SCHEMBL2667461

SCHEMBL2667461

CC(C1=CC=C(C(=O)NCC(O)C(=O)O)CC1)n1nc(-c2ccc(OC(F)(F)F)cc2)cc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 19/20 0.54
▸ GIPR P48546 4/20 0.46
▸ AHR P35869 1/20 0.38

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
SCHEMBL9071569 0.83 GCGR (0.77) GCGRGIPR
SCHEMBL2667843 0.75 GCGR (0.63) GCGRGIPR
SCHEMBL2667864 0.73 GCGR (0.57) GCGRGIPR
SCHEMBL2667421 0.73 GCGR (0.89) GCGRGIPR
SCHEMBL9071594 0.72 GCGR (0.57) GCGRGIPR
SCHEMBL12360261 0.71 GCGR (0.78) GCGRGIPR
SCHEMBL2667460 0.70 GCGR (1.00) GCGRGIPR
SCHEMBL12360196 0.69 GCGR (0.78) GCGRGIPR
SCHEMBL12360212 0.69 GCGR (0.78) GCGRGIPR
SCHEMBL9071595 0.69 GCGR (0.70) GCGRGIPR

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-2004069158-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2004-08-19 — — WO disclosed
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