SCHEMBL8488408

SCHEMBL8488408

CS(=O)(=O)N(CCc1ccccc1)CC(O)C[Gd]N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PER2 O15055 4/20 0.51
CRY1 Q16526 3/20 0.51
CRY2 Q49AN0 3/20 0.51
BACE1 P56817 7/20 0.45
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
RORC P51449 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
SCHEMBL8484814 0.90 CRY1 (0.49) PER2CRY1CRY2BACE1LMNA
SCHEMBL8486007 0.90 LMNA (0.44) PER2CRY1CRY2BACE1LMNA
SCHEMBL8488567 0.83 PER2 (0.34) PER2CRY1CRY2
SCHEMBL8488046 0.81 PER2 (0.42) PER2CRY1CRY2LMNASMN1; SMN2
SCHEMBL8486390 0.81 S1PR1 (0.36) PER2CRY1CRY2
SCHEMBL8489654 0.81 S1PR1 (0.36) PER2CRY1CRY2
SCHEMBL8488572 0.76 BACE1 (0.48) PER2CRY1CRY2BACE1LMNA
SCHEMBL8489489 0.76 CRY1 (0.60) PER2CRY1CRY2BACE1SMN1; SMN2
SCHEMBL8489557 0.75 PER2 (0.55) PER2CRY1CRY2BACE1ALOX15
SCHEMBL9004320 0.74 PER2 (0.46) PER2CRY1CRY2BACE1TSHR

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
US-5919431-A 1,4,7,10-tetraazacyclododecane derivatives, their use, pharmaceutical agents containing these compounds and process for their production SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-06 US disclosed