SCHEMBL8760802

SCHEMBL8760802

C=CCN(C)C/C=C/COc1ccc2c(-c3ccc(Br)cc3)nsc2c1

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LSS P48449 19/20 0.89

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
SCHEMBL8760808 1.00 LSS (0.89) LSS
SCHEMBL8761188 0.94 LSS (1.00) LSS
SCHEMBL8481577 0.94 LSS (1.00) LSS
Fumaric Acid SCHEMBL8486095 0.88 LSS (0.88) LSS
SCHEMBL5038203 0.86 LSS (0.89) LSS
SCHEMBL9068010 0.86 LSS (0.67) LSS
SCHEMBL8481117 0.86 LSS (0.67) LSS
SCHEMBL5038843 0.85 LSS (0.94) LSS
SCHEMBL5040192 0.84 LSS (1.00) LSS
SCHEMBL4311426 0.83 LSS (1.00) LSS

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
EP-0778271-A2 Aminoalkyl-substituted benzo-heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP claimed
EP-0778271-A2 Aminoalkyl-substituted benzo-heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed