SCHEMBL8246557

SCHEMBL8246557

CN1CCN(C[C@@H](N)C(C)(C)C)S1(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PER2 O15055 2/20 0.40
CRY1 Q16526 4/20 0.37
CRY2 Q49AN0 4/20 0.37
HTR5A P47898 2/20 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
SCHEMBL8271463 0.90 CRY1 (0.43) PER2CRY1CRY2
SCHEMBL8247349 0.79 CRY1 (0.40) PER2CRY1CRY2HTR5A
SCHEMBL8253155 0.77
SCHEMBL13804509 0.76 PER2 (0.39) PER2CRY1CRY2HTR5A
SCHEMBL13622575 0.75 PER2 (0.45) PER2CRY1CRY2HTR5A
SCHEMBL13791991 0.73 PER2 (0.37) PER2CRY1CRY2
SCHEMBL8249897 0.71 PER2 (0.44) PER2CRY1CRY2
SCHEMBL16297899 0.70 CRY1 (0.40) PER2CRY1CRY2
SCHEMBL8249780 0.70 CRY1 (0.40) PER2CRY1CRY2
SCHEMBL12584804 0.69 CRY1 (0.40) PER2CRY1CRY2

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
WO-2006130627-A2 METHODS FOR TREATING HEPATITIS C SCHERING CORPORATION (US) 2006-12-07 WO disclosed