SCHEMBL5484112

SCHEMBL5484112

CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3ccccc23)CC1.Clc1nc(Cl)c2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 2/20 0.63
▸ KIT P10721 1/20 0.48
▸ CKS1B P61024 2/20 0.48
▸ SKP1 P63208 2/20 0.48
▸ SKP2 Q13309 2/20 0.48
▸ TLR9 Q9NR96 4/20 0.47
▸ TLR7 Q9NYK1 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OGFRL1 Q5TC84 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ACHE P22303 2/20 0.45
▸ PDE10A Q9Y233 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.44
▸ CHRM2 P08172 1/20 0.43

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
SCHEMBL2533854 0.96 GBA1 (0.67) GBA1KITCKS1BSKP1SKP2
SCHEMBL13992531 0.83 GBA1 (0.66) GBA1KITCKS1BSKP1SKP2
SCHEMBL31133354 0.83 GBA1 (0.66) GBA1KITCKS1BSKP1SKP2
SCHEMBL639540 0.83 GBA1 (0.66) GBA1KITCKS1BSKP1SKP2
SCHEMBL31143019 0.82 HTR3B (0.57) GBA1KITCKS1BSKP1SKP2
SCHEMBL405743 0.82 HTR3B (0.57) GBA1KITCKS1BSKP1SKP2
SCHEMBL16908185 0.81 GBA1 (0.60) GBA1KITCKS1BSKP1SKP2
SCHEMBL4013403 0.81 GBA1 (0.51) GBA1KITCKS1BSKP1SKP2
SCHEMBL30060994 0.81 POLB (0.47) GBA1KITCKS1BSKP1SKP2
SCHEMBL20011912 0.81 POLB (0.47) GBA1KITCKS1BSKP1SKP2

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-2007108744-A2 NOVEL QUINAZOLINES AS 5-HT6 MODULATORS ASTRAZENECA AB (SE) 2007-09-27 — — WO disclosed
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