SCHEMBL16297899

SCHEMBL16297899

CC(C)(C)C(N)CN1CCCCS1(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRY1 Q16526 18/20 0.40
CRY2 Q49AN0 18/20 0.40
PER2 O15055 16/20 0.40

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
SCHEMBL8249780 1.00 CRY1 (0.40) CRY1CRY2PER2
SCHEMBL8249897 0.95 PER2 (0.44) CRY1CRY2PER2
SCHEMBL12584720 0.79 CRY1 (0.38) CRY1CRY2PER2
SCHEMBL8279628 0.77 CRY1 (0.39) CRY1CRY2PER2
SCHEMBL8282881 0.76 CRY1 (0.44) CRY1CRY2PER2
SCHEMBL13632919 0.76 CRY1 (0.40) CRY1CRY2PER2
SCHEMBL13791794 0.76 CRY1 (0.38) CRY1CRY2PER2
SCHEMBL8283579 0.75 CRY1 (0.39) CRY1CRY2PER2
SCHEMBL16315737 0.75 PER2 (0.45) CRY1CRY2PER2
SCHEMBL8271463 0.75 CRY1 (0.43) CRY1CRY2PER2

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-2006113942-A2 METHOD OF INHIBITING CATHEPSIN ACTIVITY SCHERING CORPORATION (US) 2006-10-26 WO disclosed