SCHEMBL3969866

SCHEMBL3969866

COc1ccc(C(=O)NCCCCc2cn(-c3ccccn3)c3ccc(C(=O)O)cc23)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.47
MTNR1B P49286 3/20 0.45
MTNR1A P48039 2/20 0.45
ROCK1 Q13464 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 3/20 0.41
PLA2G4A P47712 1/20 0.40
MCHR1 Q99705 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 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
SCHEMBL3971172 0.81 PTAFR (0.48) HPGDLMNANPC1RAB9AKMT2A
SCHEMBL13883788 0.81 PTAFR (0.40) ROCK1ALDH1A1HPGDMAPT
SCHEMBL13883746 0.80 MTNR1A (0.52) MTNR1BMTNR1AROCK1ALDH1A1NPC1
SCHEMBL13883896 0.76 POLB (0.38) MTNR1BMTNR1AROCK1ALDH1A1HPGD
SCHEMBL3976475 0.76 PTAFR (0.45) HPGDLMNANPC1RAB9AKMT2A
SCHEMBL3973159 0.73 POLB (0.47) MTNR1BMTNR1AROCK1ALDH1A1HPGD
SCHEMBL4321178 0.71 LMNA (0.51) NAMPTALDH1A1HPGDLMNANPC1
SCHEMBL3974184 0.70 POLB (0.50) MTNR1BMTNR1AROCK1ALDH1A1HPGD
SCHEMBL13913239 0.69 NAMPT (0.70) NAMPTALDH1A1HPGDLMNANPC1
SCHEMBL3971256 0.69 NPC1 (0.47) MTNR1BMTNR1AALDH1A1LMNANPC1

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-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO claimed
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed