SCHEMBL8632265

SCHEMBL8632265

CCCCCCN1c2cccc(CNC(=O)OC(C)(C)C)c2Sc2c(CC(=O)O)cccc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.41
PPARG P37231 8/20 0.39
CNR2 P34972 1/20 0.36
CDC25A P30304 2/20 0.36
PDF Q9HBH1 1/20 0.36
KCNA5 P22460 1/20 0.36
CTSK P43235 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.34

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
SCHEMBL7392981 0.86 KCNA5 (0.41) DRD2KCNA5SUCNR1
SCHEMBL8629919 0.80 CDC25A (0.43) PPARGCDC25APDF
SCHEMBL7388853 0.79 DRD2 (0.39) DRD2CNR2CTSK
SCHEMBL29430481 0.72 KCNA5 (0.53) KCNA5CTSK
SCHEMBL825511 0.72 KCNA5 (0.53) KCNA5CTSK
Hexane SCHEMBL21545362 0.69 RIPK1 (0.44) DRD2KCNA5CTSK
SCHEMBL7393683 0.67 DRD2 (0.37) DRD2
SCHEMBL12663115 0.67 KCNA5 (0.48) KCNA5CTSK
SCHEMBL7386864 0.67 TLR8 (0.33) PPARGCDC25APDF
SCHEMBL20049207 0.67 LMNA (0.48) KCNA5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811389-A INHIBITING PLATELET AGGREGATION; BLOOD DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed
US-5811548-A USEFUL AS RESEARCH TOOLS IN THE DETERMINATION OF BIOLOGICALLY ACTIVE PEPTIDE SEQUENCES HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed