SCHEMBL8486007

SCHEMBL8486007

COc1ccc(CCN(CC(O)C[Gd]N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.43
BACE1 P56817 3/20 0.41
PER2 O15055 1/20 0.41
CRY1 Q16526 1/20 0.41
CRY2 Q49AN0 1/20 0.41
BMP1 P13497 7/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
APLNR P35414 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL8488408 0.90 PER2 (0.51) LMNABACE1PER2CRY1CRY2
SCHEMBL8488572 0.88 BACE1 (0.48) LMNAALDH1A1BACE1PER2CRY1
SCHEMBL8488046 0.81 PER2 (0.42) LMNAPER2CRY1CRY2SMN1; SMN2
SCHEMBL8484814 0.80 CRY1 (0.49) LMNAALDH1A1BACE1PER2CRY1
SCHEMBL8488567 0.79 PER2 (0.34) ALDH1A1PER2CRY1CRY2
SCHEMBL8489654 0.78 S1PR1 (0.36) PER2CRY1CRY2
SCHEMBL8487896 0.77 BACE1 (0.44) LMNAALDH1A1BACE1PER2CRY1
SCHEMBL8488579 0.71 LMNA (0.39) LMNAALDH1A1BACE1SMN1; SMN2CHRM5
SCHEMBL8489557 0.68 PER2 (0.55) ALDH1A1BACE1PER2CRY1CRY2
SCHEMBL8488753 0.67 PER2 (0.51) ALDH1A1BACE1PER2CRY1CRY2

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