SCHEMBL4326720

SCHEMBL4326720

O=C(O)c1ccc2c(-c3ccccc3)cn(CCCCNC(=O)c3ccc(-c4ccccn4)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.47
DRD2 P14416 3/20 0.47
HTR2C P28335 3/20 0.47
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
HPGDS O60760 1/20 0.47
NAMPT P43490 1/20 0.41
CHRNA7 P36544 1/20 0.41
MAPK10 P53779 1/20 0.40
MAPK14 Q16539 1/20 0.40
TGFBR1 P36897 1/20 0.39
PTAFR P25105 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4332243 0.85 PTAFR (0.45) DRD3DRD2HTR2CHTR1AHTR2A
SCHEMBL4333849 0.85 DRD2 (0.46) DRD3DRD2NAMPTDRD4
SCHEMBL4320012 0.85 LMNA (0.46) DRD3DRD2DRD4NPC1LMNA
SCHEMBL4326354 0.83 NAMPT (0.46) DRD3DRD2HTR2CHTR1AHTR2A
SCHEMBL4336046 0.83 LMNA (0.46) DRD3DRD2NPC1LMNAPOLB
SCHEMBL4324148 0.83 SCN9A (0.46) NAMPT
SCHEMBL4331873 0.83 NPC1 (0.50) DRD3DRD2NAMPTDRD4NPC1
SCHEMBL4330789 0.83 NPC1 (0.49) DRD3DRD2DRD4NPC1LMNA
SCHEMBL4325414 0.83 KMT2A (0.47) DRD3DRD2HTR1ANAMPTDRD1
SCHEMBL4327361 0.81 S1PR1 (0.40) NAMPTPTAFR

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