SCHEMBL2582576

SCHEMBL2582576

Cc1cc(OCCCC2CCN(c3noc(C(C)(C)C)n3)CC2)ccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.41
ACACB O00763 3/20 0.41
ACACA Q13085 3/20 0.41
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
MAOA P21397 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
RBP4 P02753 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
SCHEMBL1844407 0.94 ACACB (0.42) GPR119ACACBACACAPPARGPPARD
SCHEMBL1842786 0.93 ACACB (0.47) GPR119ACACBACACAPPARGPPARD
SCHEMBL2578258 0.91 GPR119 (0.41) GPR119ACACBACACAPPARGPPARD
SCHEMBL2568194 0.90 GPR119 (0.49) GPR119HRH3
SCHEMBL2559912 0.87 GPR119 (0.40) GPR119ACACBACACAPPARGPPARD
SCHEMBL2218214 0.86 ACACB (0.41) GPR119ACACBACACANPC1RAB9A
SCHEMBL1842388 0.85 GPR119 (0.42) GPR119ACACBACACAPPARGPPARD
SCHEMBL2216309 0.85 ACACB (0.46) GPR119ACACBACACANPC1RAB9A
SCHEMBL1841648 0.84 ACACB (0.46) GPR119ACACBACACAPPARGPPARD
SCHEMBL2389594 0.84 PPARG (0.39) GPR119PPARGPPARDMAOABCHE

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
WO-2011128394-A1 3-SUBSTITUTED 5-(PYRROLIDINE-1-CARBONYL) PYRROLIDINE AND ITS DERIVATIVES FOR USE IN THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2011-10-20 WO disclosed
WO-2011128394-A1 3-SUBSTITUTED 5-(PYRROLIDINE-1-CARBONYL) PYRROLIDINE AND ITS DERIVATIVES FOR USE IN THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2011-10-20 WO disclosed