SCHEMBL2875159

SCHEMBL2875159

NC(=O)O[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.61
KDM4C Q9H3R0 2/20 0.47

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
SCHEMBL2873792 1.00 HTR6 (0.61) HTR6KDM4C
SCHEMBL315172 0.81 HTR6 (0.65) HTR6KDM4C
SCHEMBL315668 0.81 HTR6 (0.65) HTR6KDM4C
SCHEMBL1697713 0.79 HTR6 (0.74) HTR6KDM4C
SCHEMBL314641 0.79 HTR6 (0.74) HTR6KDM4C
SCHEMBL314640 0.79 HTR6 (0.74) HTR6KDM4C
SCHEMBL14009938 0.78 HTR6 (0.66) HTR6KDM4C
SCHEMBL3184750 0.78 HTR6 (0.66) HTR6KDM4C
SCHEMBL1282130 0.78 HTR6 (0.66) HTR6KDM4C
SCHEMBL3855410 0.78 HTR6 (0.59) HTR6KDM4C

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-1831159-B1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2010-01-20 EP claimed