SCHEMBL2821756

SCHEMBL2821756

Cc1cc(Sc2cc(C#Cc3ccc(Cl)cc3)cc(C#Cc3ccccn3)c2)ccc1[O]

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.41
PTGES O14684 1/20 0.41
AKR1C3 P42330 1/20 0.41
FFAR1 O14842 1/20 0.37
ERN1 O75460 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
HCRTR1 O43613 1/20 0.36
RAB9A P51151 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
SCHEMBL2820978 0.92 GRM5 (0.44) GRM5ERN1NPC1HCRTR1RAB9A
SCHEMBL2821758 0.87 ERN1 (0.44) GRM5PTGESAKR1C3FFAR1ERN1
SCHEMBL2822191 0.83 GRM5 (0.43) GRM5FFAR1TP53MAPT
SCHEMBL2068612 0.82 PTGDR2 (0.56) PTGESAKR1C3FFAR1
SCHEMBL2822103 0.81 PPARD (0.47) GRM5FFAR1ERN1NPC1HCRTR1
SCHEMBL2070336 0.78 PTGDR2 (0.42) PTGESAKR1C3FFAR1
SCHEMBL2820981 0.78 ERN1 (0.47) GRM5FFAR1ERN1
SCHEMBL2068429 0.73 PTGDR2 (0.53) FFAR1
SCHEMBL2825829 0.71 GRM5 (0.43) GRM5MAPTNPC1RAB9A
SCHEMBL2822197 0.70 GRM5 (0.43) GRM5FFAR1TP53MAPT

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