SCHEMBL9004350

SCHEMBL9004350

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PER2 O15055 7/20 0.36
CRY1 Q16526 6/20 0.36
CRY2 Q49AN0 6/20 0.36
BACE1 P56817 4/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL9004290 0.88 PER2 (0.38) L3MBTL1PER2CRY1CRY2BACE1
SCHEMBL8489932 0.84 PER2 (0.42) L3MBTL1PER2CRY1CRY2BACE1
SCHEMBL8488753 0.82 PER2 (0.51) L3MBTL1PER2CRY1CRY2BACE1
SCHEMBL8485649 0.82 PER2 (0.40) PER2CRY1CRY2BACE1
SCHEMBL8489489 0.80 CRY1 (0.60) PER2CRY1CRY2BACE1KMT2A
SCHEMBL14873334 0.79 MAPT (0.57) MAPTATML3MBTL1ADRA2AADRA2B
SCHEMBL18975267 0.77 MEN1 (0.36) MAPTATML3MBTL1ADRA2AADRA2B
SCHEMBL18975289 0.77 ADRA2A (0.37) MAPTATML3MBTL1ADRA2AADRA2B
SCHEMBL18975290 0.76 SMN1; SMN2 (0.39) MAPTATMADRA2AADRA2BADRA2C
SCHEMBL8589196 0.76 L3MBTL1 (0.40) MAPTL3MBTL1KMT2A

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