SCHEMBL4335709

SCHEMBL4335709

O=C(O)c1ccc2c(-c3ccccc3)cn(CCCCNC(=O)c3ccccc3-n3cccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMYD2 Q9NRG4 2/20 0.38
NAMPT P43490 1/20 0.38
CNR2 P34972 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
CNR1 P21554 1/20 0.37
HTT P42858 1/20 0.36
PPARG P37231 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
SCHEMBL4324640 0.82 HCRTR1 (0.54) CYP2C19CYP2C9SCN9AALDH1A1CNR2
SCHEMBL4320012 0.82 LMNA (0.46) CPT2CPT1ACPT1BSCN9AALDH1A1
SCHEMBL4333849 0.82 DRD2 (0.46) CPT2CPT1ACPT1BSCN9ANAMPT
SCHEMBL4324654 0.81 NPC1 (0.46) CPT2CPT1ACPT1BSCN9ACNR2
SCHEMBL4319190 0.81 SLC22A12 (0.43) CPT2CPT1ACPT1BSCN9ASMYD2
SCHEMBL4336015 0.81 NPC1 (0.41) CYP2C19CYP2C9CPT2CPT1ACPT1B
SCHEMBL4324512 0.81 MEN1 (0.52) SCN9AALDH1A1CNR2CNR1
SCHEMBL4336046 0.80 LMNA (0.46) SCN9AALDH1A1DRD2DRD3HTT
SCHEMBL4326354 0.80 NAMPT (0.46) CPT2CPT1ACPT1BSCN9ASMYD2
SCHEMBL4324148 0.80 SCN9A (0.46) SCN9ANAMPT

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-2009147121-A1 CARBOXYL SUBSTITUTED INDOLES FOR USE AS PPAR ALPHA MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-10 WO claimed
WO-2009147121-A1 CARBOXYL SUBSTITUTED INDOLES FOR USE AS PPAR ALPHA MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-10 WO disclosed