SCHEMBL2821758

SCHEMBL2821758

Cc1cc(Sc2cc(C#Cc3ccc(Cl)cc3)cc(C#Cc3ccccn3)c2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.44
PTGES O14684 1/20 0.41
AKR1C3 P42330 1/20 0.41
GRM5 P41594 5/20 0.39
FFAR1 O14842 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL2820981 0.92 ERN1 (0.47) ERN1GRM5FFAR1
SCHEMBL2821756 0.87 GRM5 (0.41) ERN1PTGESAKR1C3GRM5FFAR1
SCHEMBL2068612 0.82 PTGDR2 (0.56) PTGESAKR1C3FFAR1PTGDR2
SCHEMBL2822197 0.82 GRM5 (0.43) GRM5FFAR1
SCHEMBL2820978 0.78 GRM5 (0.44) ERN1GRM5
SCHEMBL2068429 0.73 PTGDR2 (0.53) FFAR1PTGDR2
SCHEMBL11758794 0.71 TP53 (0.45)
SCHEMBL2068734 0.69 PPARA (0.40) GRM5FFAR1PTGDR2
SCHEMBL2827415 0.69 GRM5 (0.44) GRM5FFAR1
SCHEMBL2822191 0.69 GRM5 (0.43) GRM5FFAR1L3MBTL1

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