SCHEMBL13653389

SCHEMBL13653389

CN1CC(C2CNC3=C2CCC(n2cnc(-c4ccc(Cl)cc4)cc2=O)=C3)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.39
KDM5B Q9UGL1 1/20 0.35
PSD A5PKW4 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13622711 0.62 MCHR1 (0.41) KDM5B
SCHEMBL13914940 0.61 GSK3B (0.71) GSK3B
SCHEMBL13914942 0.61 GSK3B (0.71) GSK3B
SCHEMBL18931746 0.59 MAPT (0.50) KDM5BPSDMEN1KMT2ANPC1
SCHEMBL2851684 0.57 GSK3B (0.58) GSK3B
SCHEMBL13914960 0.57 GSK3B (0.96) GSK3B
SCHEMBL13914910 0.56 GSK3B (0.74) GSK3B
SCHEMBL4565591 0.56 KCNH2 (0.41) KDM5B
SCHEMBL1651051 0.56 GSK3B (1.00) GSK3B
SCHEMBL8342255 0.56 GSK3B (0.72) GSK3B

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-2009120655-A1 INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 WO disclosed