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SCHEMBL9004331

SCHEMBL9004331

CCOC(=O)CN1CCN(CC(=O)OCC)CCN(CC(O)CN(C2COC(c3ccccc3)OC2)S(C)(=O)=O)CCN(CC(=O)OCC)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PER2 O15055 18/20 0.47
▸ CRY1 Q16526 16/20 0.43
▸ CRY2 Q49AN0 16/20 0.43
▸ SLC18A3 Q16572 1/20 0.37

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
SCHEMBL9004363 0.89 PER2 (0.52) PER2CRY1CRY2
SCHEMBL8487228 0.78 CRY1 (0.53) PER2CRY1CRY2
SCHEMBL8489440 0.77 HCRTR2 (0.37) SLC18A3
SCHEMBL8489557 0.76 PER2 (0.55) PER2CRY1CRY2
SCHEMBL9004296 0.73 PER2 (0.43) PER2CRY1CRY2
SCHEMBL9004327 0.73 PER2 (0.40) PER2CRY1CRY2
SCHEMBL8491767 0.71 PER2 (0.39) PER2CRY1CRY2
SCHEMBL8488600 0.69 PER2 (0.38) PER2CRY1CRY2
SCHEMBL8487214 0.69 PER2 (0.38) PER2CRY1CRY2
SCHEMBL8491775 0.69 PER2 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730586-A1 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES, THEIR USE, PHARMACEUTICALS CONTAINING THEM AND PROCESS FOR THEIR PRODUCTION SCHERING AKTIENGESELLSCHAFT (DE) 1996-09-11 — — EP disclosed
WO-1995014678-A1 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES, THEIR USE, PHARMACEUTICALS CONTAINING THEM AND PROCESS FOR THEIR PRODUCTION SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-01 — — WO disclosed