SCHEMBL2822191

SCHEMBL2822191

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.43
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTRC Q99895 1/20 0.32
HTT P42858 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL2822197 0.86 GRM5 (0.43) GRM5PPARGPPARDPPARATP53
SCHEMBL2827431 0.84 PPARG (0.40) GRM5PPARGPPARDPPARAFFAR1
SCHEMBL2821756 0.83 GRM5 (0.41) GRM5TP53MAPTFFAR1
SCHEMBL2069995 0.79 PPARD (0.60) PPARGPPARDPPARA
SCHEMBL2822346 0.77 PPARD (0.41) GRM5PPARDLMNAHPGD
SCHEMBL2069381 0.77 PPARA (0.46) PPARGPPARDPPARAFFAR1
SCHEMBL2822183 0.76 PPARD (0.44) GRM5PPARGPPARDPPARAMAPT
SCHEMBL2822103 0.76 PPARD (0.47) GRM5PPARGPPARDPPARAFFAR1
SCHEMBL2820978 0.72 GRM5 (0.44) GRM5
SCHEMBL2825490 0.72 FFAR1 (0.34) GRM5PPARGPPARDPPARAFFAR1

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