SCHEMBL3974599

SCHEMBL3974599

CC(C)c1ccc(CCC(=O)NCCc2cn(-c3ccccc3)c3ccc(C(=O)O)cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 18/20 0.54
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL3969848 0.96 PLA2G4A (0.52) PLA2G4AMTNR1AMTNR1BALDH1A1L3MBTL1
SCHEMBL3970351 0.92 MTNR1A (0.51) PLA2G4AMTNR1AMTNR1B
SCHEMBL13884101 0.88 MTNR1A (0.50) PLA2G4AMTNR1AMTNR1BALDH1A1L3MBTL1
SCHEMBL3970925 0.85 MTNR1A (0.55) PLA2G4AMTNR1AMTNR1B
SCHEMBL3976494 0.82 NPC1 (0.52) PLA2G4AMTNR1AMTNR1B
SCHEMBL3975570 0.80 RAB9A (0.47) PLA2G4AMTNR1AMTNR1BALDH1A1
SCHEMBL3968509 0.79 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1
SCHEMBL13883771 0.79 MTNR1A (0.56) PLA2G4AMTNR1AMTNR1B
SCHEMBL13883686 0.79 RORC (0.45) MTNR1AMTNR1B
SCHEMBL13883906 0.76 TMEM97 (0.45) MTNR1AMTNR1B

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