SCHEMBL6897080

SCHEMBL6897080

CC1(C)CC(C(C)(N)c2nsc(=O)[nH]2)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL7428738 0.74 CTH (0.33)
SCHEMBL84555 0.69 PTGS1 (0.43) PTGS1PTGS2
SCHEMBL7430351 0.68
SCHEMBL1395729 0.57 ALDH1A1 (0.44)
SCHEMBL24508042 0.55 APLNR (0.33)
SCHEMBL19347044 0.54
SCHEMBL6056331 0.54 FDPS (0.41)
SCHEMBL21649805 0.50
SCHEMBL4900640 0.50
SCHEMBL12408519 0.49 ALDH1A1 (0.70)

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-1480639-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2004-12-01 EP disclosed
WO-2003070237-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2003-08-28 WO disclosed