SCHEMBL3969149

SCHEMBL3969149

COC(=O)c1ccc2c(c1)c(CCN)cn2-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
FGFR1 P11362 1/20 0.51
PLA2G4A P47712 14/20 0.50
NR4A2 P43354 1/20 0.50
SCN9A Q15858 1/20 0.49
HTR6 P50406 1/20 0.48

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
Hydrochloric Acid SCHEMBL3969364 0.99 MTNR1A (0.53) MTNR1AMTNR1BFGFR1PLA2G4ANR4A2
SCHEMBL3972972 0.92 MTNR1A (0.52) MTNR1AMTNR1BFGFR1PLA2G4ANR4A2
SCHEMBL3967405 0.89 MTNR1A (0.55) MTNR1AMTNR1BFGFR1PLA2G4ANR4A2
SCHEMBL3970720 0.88 PLA2G4A (0.61) MTNR1AMTNR1BPLA2G4A
SCHEMBL13883856 0.86 MTNR1A (0.53) MTNR1AMTNR1BFGFR1PLA2G4ANR4A2
SCHEMBL3972129 0.84 PLA2G4A (0.53) MTNR1AMTNR1BFGFR1PLA2G4ANR4A2
SCHEMBL3970192 0.84 MTNR1A (0.51) MTNR1AMTNR1BFGFR1PLA2G4ANR4A2
SCHEMBL3974184 0.84 POLB (0.50) MTNR1AMTNR1BFGFR1HTR6
SCHEMBL3971220 0.81 KCNH2 (0.47) PLA2G4ASCN9A
SCHEMBL3971609 0.81 FGFR1 (0.44) MTNR1AMTNR1BFGFR1PLA2G4ANR4A2

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