SCHEMBL4333849

SCHEMBL4333849

O=C(O)c1ccc2c(-c3ccccc3)cn(CCCCNC(=O)c3ccc(Cl)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
DRD4 P21917 3/20 0.46
DRD3 P35462 3/20 0.45
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAMPT P43490 1/20 0.43
ACLY P53396 1/20 0.43
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
CPT1B Q92523 1/20 0.42
SCN9A Q15858 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL4320012 0.90 LMNA (0.46) DRD2DRD4DRD3TMEM97CPT2
SCHEMBL4330789 0.89 NPC1 (0.49) DRD2DRD4DRD3SMN1; SMN2CPT2
SCHEMBL4336046 0.88 LMNA (0.46) DRD2DRD3TMEM97SIGMAR1MAPT
SCHEMBL4324148 0.88 SCN9A (0.46) TMEM97SIGMAR1MAPTNAMPTSCN9A
SCHEMBL4331873 0.87 NPC1 (0.50) DRD2DRD4DRD3SIGMAR1MAPT
SCHEMBL4325414 0.87 KMT2A (0.47) DRD2DRD4DRD3NAMPTSCN9A
SCHEMBL4326354 0.86 NAMPT (0.46) DRD2DRD3NAMPTCPT2CPT1A
SCHEMBL4326720 0.85 DRD3 (0.47) DRD2DRD4DRD3NAMPT
SCHEMBL4321416 0.84 DRD2 (0.46) DRD2DRD4DRD3MAPTSMN1; SMN2
SCHEMBL4324654 0.83 NPC1 (0.46) CPT2CPT1ACPT1BSCN9AADRA1A

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