SCHEMBL5262890

SCHEMBL5262890

COc1nc(OC)nc(N2CCC(c3nc(C(=O)N4CCN(c5nsc6ccccc56)CC4)cs3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.42
DRD2 P14416 6/20 0.42
HTR2A P28223 6/20 0.42
DRD3 P35462 4/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
TRPC3 Q13507 1/20 0.39
TRPC6 Q9Y210 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
SCHEMBL5261840 0.88 HTR1A (0.39) HTR1ADRD2HTR2ADRD3HCAR2
SCHEMBL2186770 0.80 ALDH1A1 (0.44) ALDH1A1TRPC3TRPC6
SCHEMBL2187222 0.79 TRPC3 (0.38) USP2ALDH1A1TRPC3TRPC6
SCHEMBL5262815 0.79 NFKB1 (0.52) HTR1ADRD2HTR2ADRD3HCAR2
SCHEMBL5265670 0.78 HSD11B1 (0.43) HTR1ADRD2HTR2ADRD3HCAR2
SCHEMBL5264521 0.78 MAPT (0.46) HTR1ADRD2HTR2ADRD3ALDH1A1
SCHEMBL2187194 0.77 TSHR (0.49) ALDH1A1
SCHEMBL2188215 0.77 HCRTR1 (0.45) ALDH1A1TRPC3TRPC6
SCHEMBL5316067 0.76 TRPC3 (0.40) USP2ALDH1A1TRPC3TRPC6
SCHEMBL27709468 0.76 POLB (0.43) USP2ALDH1A1

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
EP-1834954-A1 Thiazoles as NF-kB Inhibitors (proteasome inhibitors) 4SC AG (DE) 2007-09-19 EP disclosed