SCHEMBL5230758

SCHEMBL5230758

Cn1c(-c2cnco2)c(C2CCCCC2)c2sc(OC(=O)O)cc21

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.35
SCN9A Q15858 1/20 0.32
IMPDH2 P12268 1/20 0.31
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL2998597 0.85 AAK1 (0.33) AAK1SCN9A
SCHEMBL5234576 0.80 SCN9A (0.36) SCN9A
SCHEMBL5227012 0.77 CYP3A4 (0.40) SCN9A
SCHEMBL791480 0.73 SCN9A (0.46) SCN9A
SCHEMBL12894489 0.73 SCN9A (0.50) AAK1SCN9A
SCHEMBL5234397 0.67 CNR1 (0.36)
SCHEMBL5233817 0.66 CYP2D6 (0.38)
SCHEMBL5234725 0.66 EGFR (0.42)
SCHEMBL5230063 0.66 EGFR (0.41)
SCHEMBL5236137 0.65 GRIN1 (0.46)

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-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed