SCHEMBL13003662

SCHEMBL13003662

CCC1C=CC(c2cc(-c3ccc(Cl)c(Cl)c3)nn2Cc2ccc(C(=O)NCc3nn[nH]n3)cc2)=CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 19/20 0.53
▸ GIPR P48546 5/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL13003163 0.85 GCGR (0.66) GCGRGIPRPTGDR2
SCHEMBL12360326 0.81 GCGR (0.68) GCGRGIPR
SCHEMBL12360330 0.80 GCGR (0.66) GCGRGIPR
SCHEMBL9071633 0.73 GCGR (0.81) GCGRGIPR
SCHEMBL2667313 0.73 GCGR (0.76) GCGRGIPR
SCHEMBL9071542 0.72 GCGR (0.82) GCGRGIPR
SCHEMBL12360311 0.72 GCGR (0.77) GCGRGIPR
SCHEMBL12360160 0.71 GCGR (0.89) GCGRGIPR
SCHEMBL12360441 0.71 GCGR (0.69) GCGRGIPR
SCHEMBL2667878 0.71 GCGR (0.69) 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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