SCHEMBL9004290

SCHEMBL9004290

CS(=O)(=O)N(CCO)CC(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PER2 O15055 8/20 0.38
CRY1 Q16526 7/20 0.38
CRY2 Q49AN0 7/20 0.38
BACE1 P56817 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.33

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
SCHEMBL8489932 0.88 PER2 (0.42) PER2CRY1CRY2BACE1L3MBTL1
SCHEMBL9004350 0.88 MAPT (0.37) PER2CRY1CRY2BACE1L3MBTL1
SCHEMBL8490612 0.86 PER2 (0.40) PER2CRY1CRY2BACE1
SCHEMBL8488753 0.86 PER2 (0.51) PER2CRY1CRY2BACE1L3MBTL1
SCHEMBL8485649 0.86 PER2 (0.40) PER2CRY1CRY2BACE1
SCHEMBL8489489 0.79 CRY1 (0.60) PER2CRY1CRY2BACE1KMT2A
SCHEMBL9004320 0.78 PER2 (0.46) PER2CRY1CRY2BACE1L3MBTL1
SCHEMBL8488572 0.78 BACE1 (0.48) PER2CRY1CRY2BACE1KMT2A
SCHEMBL8589196 0.75 L3MBTL1 (0.40) L3MBTL1KMT2A
SCHEMBL8487854 0.75 TMEM97 (0.37) PER2CRY1CRY2BACE1L3MBTL1

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