SCHEMBL3972888

SCHEMBL3972888

COC(=O)c1ccc2c(c1)c(CN1CCN(Cc3ccccc3)CC1)cn2-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 1/20 0.52
HTR7 P34969 7/20 0.50
TNFSF11 O14788 1/20 0.47
TNF P01375 1/20 0.47
FGFR1 P11362 1/20 0.47
NR4A2 P43354 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
PDGFRB P09619 1/20 0.45
PLA2G4A P47712 1/20 0.45

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
SCHEMBL13883891 0.89 HTR6 (0.49) HTR7TNFSF11TNFFGFR1NR4A2
SCHEMBL3967405 0.80 MTNR1A (0.55) FGFR1NR4A2MTNR1AMTNR1BPLA2G4A
SCHEMBL3970720 0.79 PLA2G4A (0.61) MTNR1AMTNR1BPLA2G4A
SCHEMBL3969149 0.79 MTNR1A (0.54) FGFR1NR4A2MTNR1AMTNR1BPLA2G4A
Hydrochloric Acid SCHEMBL3969364 0.78 MTNR1A (0.53) FGFR1NR4A2MTNR1AMTNR1BPLA2G4A
SCHEMBL3970192 0.78 MTNR1A (0.51) ALDH1A1FGFR1NR4A2MTNR1AMTNR1B
SCHEMBL13883856 0.78 MTNR1A (0.53) FGFR1NR4A2MTNR1AMTNR1BPLA2G4A
SCHEMBL3972972 0.77 MTNR1A (0.52) FGFR1NR4A2MTNR1AMTNR1BPLA2G4A
SCHEMBL3972129 0.76 PLA2G4A (0.53) FGFR1NR4A2MTNR1AMTNR1BPLA2G4A
SCHEMBL7388920 0.75 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10

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