SCHEMBL3972866

SCHEMBL3972866

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
PLA2G4A P47712 9/20 0.50
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49
ALDH1A1 P00352 2/20 0.45
POLB P06746 3/20 0.45
GAA P10253 1/20 0.45
CYP2C19 P33261 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
PTPN1 P18031 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL3969854 0.90 MTNR1A (0.66) MTNR1AMTNR1BPLA2G4ACYP2C19PTPN1
SCHEMBL3970925 0.88 MTNR1A (0.55) MTNR1AMTNR1BPLA2G4APOLBGAA
SCHEMBL4207303 0.85 MTNR1A (0.64) MTNR1AMTNR1BPLA2G4APOLBGAA
SCHEMBL3970852 0.85 MTNR1A (0.54) MTNR1AMTNR1BPLA2G4AALDH1A1
SCHEMBL3971256 0.81 NPC1 (0.47) MTNR1AMTNR1BPLA2G4AALDH1A1POLB
SCHEMBL13883771 0.81 MTNR1A (0.56) MTNR1AMTNR1BPLA2G4APOLBCYP2C19
SCHEMBL13883789 0.79 MTNR1A (0.45) MTNR1AMTNR1BPLA2G4ARAB9ANPC1
SCHEMBL13883746 0.79 MTNR1A (0.52) MTNR1AMTNR1BPLA2G4AALDH1A1CYP2C19
SCHEMBL3971114 0.79 HIF1A (0.45) MTNR1AMTNR1BPLA2G4AHIF1AEPAS1
SCHEMBL3976741 0.76 MTNR1A (0.49) MTNR1AMTNR1BPLA2G4AALDH1A1POLB

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 1 patent. 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 disclosed