SCHEMBL3971609

SCHEMBL3971609

COC(=O)c1ccc2c(c1)c(CN(C)C(C)(C)CN)cn2-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NR4A2 P43354 1/20 0.43
PLA2G4A P47712 9/20 0.43
HTR6 P50406 1/20 0.42
MAPK8 P45983 1/20 0.41
SCN2B O60939 1/20 0.39
SCN1A P35498 1/20 0.39
SCN1B Q07699 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
HASPIN Q8TF76 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL13883903 0.85 MTNR1A (0.42) FGFR1MTNR1AMTNR1BNR4A2PLA2G4A
SCHEMBL3969149 0.81 MTNR1A (0.54) FGFR1MTNR1AMTNR1BNR4A2PLA2G4A
Hydrochloric Acid SCHEMBL3969364 0.80 MTNR1A (0.53) FGFR1MTNR1AMTNR1BNR4A2PLA2G4A
SCHEMBL3972972 0.79 MTNR1A (0.52) FGFR1MTNR1AMTNR1BNR4A2PLA2G4A
SCHEMBL3967405 0.78 MTNR1A (0.55) FGFR1MTNR1AMTNR1BNR4A2PLA2G4A
SCHEMBL3970192 0.78 MTNR1A (0.51) FGFR1MTNR1AMTNR1BNR4A2PLA2G4A
SCHEMBL3970720 0.77 PLA2G4A (0.61) MTNR1AMTNR1BPLA2G4A
SCHEMBL13883856 0.75 MTNR1A (0.53) FGFR1MTNR1AMTNR1BNR4A2PLA2G4A
SCHEMBL13884082 0.74 MTNR1A (0.57) FGFR1MTNR1AMTNR1BNR4A2PLA2G4A
SCHEMBL13883756 0.74 SIRT2 (0.43) MTNR1AMTNR1BPLA2G4AHTR6SCN2B

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