SCHEMBL2822103

SCHEMBL2822103

Cc1cc(Sc2cc(C#Cc3ccc(C(F)(F)F)cc3)nc(C#Cc3ccccn3)c2)ccc1[O]

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
GRM5 P41594 6/20 0.41
ABL1 P00519 1/20 0.35
FFAR1 O14842 1/20 0.35
ERN1 O75460 1/20 0.35
NPC1 O15118 1/20 0.34
HCRTR1 O43613 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2068077 0.84 PPARD (0.68) PPARDPPARGPPARA
SCHEMBL2820978 0.83 GRM5 (0.44) GRM5ERN1NPC1HCRTR1RAB9A
SCHEMBL2822183 0.81 PPARD (0.44) PPARDPPARGPPARAGRM5
SCHEMBL2821756 0.81 GRM5 (0.41) GRM5FFAR1ERN1NPC1HCRTR1
SCHEMBL5172806 0.78 PPARD (0.45) PPARDPPARGPPARAGRM5FFAR1
SCHEMBL6766733 0.76 FFAR1 (0.49) GRM5FFAR1ERN1
SCHEMBL2824805 0.76 PPARD (0.44) PPARDPPARGPPARA
SCHEMBL2822191 0.76 GRM5 (0.43) PPARDPPARGPPARAGRM5FFAR1
SCHEMBL12590669 0.74 PPARD (0.77) PPARDPPARGPPARA
SCHEMBL2827431 0.73 PPARG (0.40) PPARDPPARGPPARAGRM5FFAR1

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-1745003-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-27 EP claimed