SCHEMBL5261840

SCHEMBL5261840

COc1cc(N2CCC(c3nc(C(=O)N4CCN(c5nsc6ccccc56)CC4)cs3)CC2)nc(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.39
DRD2 P14416 7/20 0.39
HTR2A P28223 7/20 0.39
DRD3 P35462 3/20 0.39
SORD Q00796 2/20 0.38
HCAR2 Q8TDS4 1/20 0.38
PHGDH O43175 1/20 0.37

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
SCHEMBL5262890 0.88 HTR1A (0.42) HTR1ADRD2HTR2ADRD3HCAR2
SCHEMBL2185569 0.79 TSHR (0.47) PHGDH
SCHEMBL5264521 0.79 MAPT (0.46) HTR1ADRD2HTR2ADRD3SORD
SCHEMBL2187049 0.79 KDM4E (0.41)
SCHEMBL5262815 0.77 NFKB1 (0.52) HTR1ADRD2HTR2ADRD3SORD
SCHEMBL3061483 0.77 F10 (0.38)
SCHEMBL5265670 0.75 HSD11B1 (0.43) HTR1ADRD2HTR2ADRD3HCAR2
SCHEMBL2186770 0.69 ALDH1A1 (0.44)
SCHEMBL2187194 0.68 TSHR (0.49)
SCHEMBL2187222 0.67 TRPC3 (0.38)

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