SCHEMBL3970925

SCHEMBL3970925

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
PLA2G4A P47712 9/20 0.50
RAB9A P51151 2/20 0.48
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR6 P50406 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL13883771 0.93 MTNR1A (0.56) MTNR1AMTNR1BPLA2G4ARAB9AHTT
SCHEMBL3969854 0.90 MTNR1A (0.66) MTNR1AMTNR1BPLA2G4ASMN1; SMN2TDP1
SCHEMBL3972866 0.88 MTNR1A (0.55) MTNR1AMTNR1BPLA2G4ARAB9ANPC1
SCHEMBL3970852 0.86 MTNR1A (0.54) MTNR1AMTNR1BPLA2G4AMRGPRX4
SCHEMBL3970351 0.86 MTNR1A (0.51) MTNR1AMTNR1BPLA2G4A
SCHEMBL3974599 0.85 PLA2G4A (0.54) MTNR1AMTNR1BPLA2G4A
SCHEMBL4207303 0.85 MTNR1A (0.64) MTNR1AMTNR1BPLA2G4ANPC1PTPN1
SCHEMBL3969848 0.84 PLA2G4A (0.52) MTNR1AMTNR1BPLA2G4APOLB
SCHEMBL3976494 0.81 NPC1 (0.52) MTNR1AMTNR1BPLA2G4ARAB9ASMN1; SMN2
SCHEMBL13883746 0.79 MTNR1A (0.52) MTNR1AMTNR1BPLA2G4ASMN1; SMN2NPC1

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 3 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
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed