SCHEMBL9959428

SCHEMBL9959428

O=C(O)CCNCc1ccc(NC(CC2CC2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCG P01275 6/20 0.48
GCGR P47871 8/20 0.46
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 1/20 0.38
GLP1R P43220 2/20 0.37
GIPR P48546 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGB6 P18564 1/20 0.37
MTTP P55157 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 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
SCHEMBL9951022 0.84 GCGR (0.65) GCGGCGRGLP1RGIPRMTTP
SCHEMBL9951838 0.77 GCGR (0.45) GCGGCGRITGB3ITGAVITGB6
SCHEMBL9960222 0.73 S1PR1 (0.46) GCGRS1PR1S1PR3GIPR
SCHEMBL9951068 0.72 GCGR (0.68) GCGGCGRGLP1RGIPR
SCHEMBL9951078 0.71 GCGR (0.73) GCGGCGRGLP1RGIPR
SCHEMBL9951195 0.71 GCGR (0.73) GCGGCGRGLP1RGIPR
SCHEMBL9951083 0.71 GCGR (0.73) GCGGCGRGLP1RGIPR
SCHEMBL9950876 0.71 GCGR (0.72) GCGGCGRGLP1RGIPR
SCHEMBL9950879 0.71 GCGR (0.72) GCGGCGRGLP1RGIPR
SCHEMBL9951718 0.71 GCGR (0.72) GCGGCGRGLP1RGIPR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655331-A1 GLUCAGON RECEPTOR MODULATORS Pfizer Inc (US) 2013-10-30 EP disclosed
WO-2012085745-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-06-28 WO disclosed