SCHEMBL4335986

SCHEMBL4335986

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
DRD4 P21917 1/20 0.42
KCNH2 Q12809 1/20 0.42
HPGD P15428 1/20 0.41
SCN9A Q15858 2/20 0.41
TBXAS1 P24557 2/20 0.41
HDAC3 O15379 1/20 0.40
MAPT P10636 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
SCHEMBL4330789 0.92 NPC1 (0.49) NPC1RAB9ASMN1; SMN2LMNADRD2
SCHEMBL13577942 0.90 LMNA (0.43) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL4337924 0.89 DRD2 (0.43) NPC1RAB9ASMN1; SMN2LMNADRD2
SCHEMBL4333764 0.88 LMNA (0.42) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL4340863 0.85 PTAFR (0.42) NPC1RAB9ASMN1; SMN2LMNADRD2
SCHEMBL4319941 0.85 LMNA (0.42) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL13577998 0.85 LMNA (0.47) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL13577956 0.84 LMNA (0.47) RAB9ASMN1; SMN2LMNAPOLBMAPT
SCHEMBL4331873 0.83 NPC1 (0.50) NPC1RAB9ASMN1; SMN2DRD2DRD3
SCHEMBL4328379 0.82 NPC1 (0.47) NPC1RAB9ASMN1; SMN2LMNADRD2

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