SCHEMBL13003187

SCHEMBL13003187

COC(=O)[C@H](O)CNC(=O)c1ccc(Cn2nc(C3C=CC(OC(F)(F)F)=CC3)cc2C2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 18/20 0.49
▸ GIPR P48546 10/20 0.49
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ PTGER4 P35408 1/20 0.33

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
SCHEMBL13003080 0.87 GCGR (0.48) GCGRGIPR
SCHEMBL9071600 0.86 GCGR (0.67) GCGRGIPR
SCHEMBL13003341 0.85 GCGR (0.55) GCGRGIPR
SCHEMBL2250235 0.81 GCGR (0.73) GCGRGIPR
SCHEMBL12360090 0.81 GCGR (0.73) GCGRGIPR
SCHEMBL12360094 0.78 GCGR (0.69) GCGRGIPR
SCHEMBL2255025 0.78 GCGR (0.69) GCGRGIPR
SCHEMBL2254559 0.74 GCGR (0.78) GCGRGIPR
SCHEMBL2667524 0.74 GCGR (0.78) GCGRGIPR
SCHEMBL2667420 0.70 GCGR (0.74) 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
EP-1590336-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2010-12-01 — — EP disclosed
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