SCHEMBL7615213

SCHEMBL7615213

C=CCC(Cc1ccc(Cl)cc1)NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.46
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
PSMB5 P28074 2/20 0.41
PSMB8 P28062 1/20 0.41
ACE P12821 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
IRAK1 P51617 1/20 0.40
PRKX P51817 1/20 0.40
LIMK1 P53667 1/20 0.40
PRKG2 Q13237 1/20 0.40
ROCK1 Q13464 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN2 Q16513 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL5036248 0.87 ACACB (0.51) MMEPSMB5ACEROCK2PRKACA
SCHEMBL5036948 0.87 ACACB (0.51) MMEPSMB5ACEROCK2PRKACA
SCHEMBL8481611 0.84 FPR2 (0.41) MMEPPARGPPARAPSMB5ACE
SCHEMBL18577263 0.82 MME (0.50) MMEPPARGPPARAPSMB5PSMB8
SCHEMBL18577261 0.82 MME (0.50) MMEPPARGPPARAPSMB5PSMB8
SCHEMBL8926162 0.82 HTT (0.45) MMEROCK2PRKACARPS6KB1IRAK1
SCHEMBL18577189 0.81 ROCK2 (0.57) MMEPPARGPPARAPSMB5PSMB8
SCHEMBL18577188 0.81 ROCK2 (0.57) MMEPPARGPPARAPSMB5PSMB8
SCHEMBL7616525 0.80 LMNA (0.53) MMEMEN1KMT2ACA2ALDH1A1
SCHEMBL18577288 0.80 MME (0.49) MMEPPARGPPARAPSMB5PSMB8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783490-B1 1-ACYL-4-ALIPHATIC AMINOPIPERIDINE COMPOUNDS NOVARTIS AG (CH) 2002-02-06 EP disclosed
EP-0783490-A1 1-ACYL-4-ALIPHATYLAMINOPIPERIDINE COMPOUNDS Novartis AG (CH) 1997-07-16 EP disclosed
WO-1996010562-A1 1-ACYL-4-ALIPHATYLAMINOPIPERIDINE COMPOUNDS NOVARTIS AG (CH) 1996-04-11 WO disclosed