SCHEMBL3971220

SCHEMBL3971220

COC(=O)c1ccc2c(c1)c(CCCCN)cn2-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
PLA2G4A P47712 3/20 0.45
SCN2B O60939 1/20 0.44
SCN1A P35498 1/20 0.44
SCN1B Q07699 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
ABCB1 P08183 9/20 0.44
METTL3 Q86U44 1/20 0.44
METTL14 Q9HCE5 1/20 0.44

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
SCHEMBL3972972 0.89 MTNR1A (0.52) PLA2G4A
SCHEMBL13884091 0.83 ABCB1 (0.47) PLA2G4AABCB1METTL3METTL14
SCHEMBL4388023 0.82 SCN2B (0.53) KCNH2SCN2BSCN1ASCN1BSCN5A
SCHEMBL13883750 0.81 ABCB1 (0.42) KCNH2SCN2BSCN1ASCN1BSCN5A
SCHEMBL3969149 0.81 MTNR1A (0.54) PLA2G4ASCN9A
Hydrochloric Acid SCHEMBL3969364 0.81 MTNR1A (0.53) PLA2G4ASCN9A
SCHEMBL13883856 0.80 MTNR1A (0.53) PLA2G4A
SCHEMBL3973159 0.79 POLB (0.47)
SCHEMBL3967405 0.76 MTNR1A (0.55) PLA2G4A
SCHEMBL3972960 0.76 ALDH1A1 (0.59) KCNH2SCN2BSCN1ASCN1BSCN5A

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