SCHEMBL8487228

SCHEMBL8487228

CCOC(=O)CN1CCN(CC(=O)OCC)CCN(CC(O)CN(Cc2ccccc2)S(C)(=O)=O)CCN(CC(=O)OCC)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRY1 Q16526 6/20 0.53
CRY2 Q49AN0 6/20 0.53
PER2 O15055 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
BACE1 P56817 5/20 0.48
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RORC P51449 1/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8489557 0.90 PER2 (0.55) CRY1CRY2PER2SMN1; SMN2BACE1
SCHEMBL8489489 0.87 CRY1 (0.60) CRY1CRY2PER2SMN1; SMN2BACE1
SCHEMBL9004296 0.87 PER2 (0.43) CRY1CRY2PER2SMN1; SMN2BACE1
SCHEMBL8491767 0.81 PER2 (0.39) CRY1CRY2PER2ALDH1A1L3MBTL1
SCHEMBL8487896 0.80 BACE1 (0.44) CRY1CRY2PER2BACE1ALDH1A1
SCHEMBL8488600 0.79 PER2 (0.38) CRY1CRY2PER2ALDH1A1L3MBTL1
SCHEMBL8491775 0.79 PER2 (0.47) CRY1CRY2PER2ALDH1A1L3MBTL1
SCHEMBL8487214 0.79 PER2 (0.38) CRY1CRY2PER2ALDH1A1L3MBTL1
SCHEMBL9004331 0.78 PER2 (0.47) CRY1CRY2PER2
SCHEMBL8487231 0.76 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1L3MBTL1RORCPOLB

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