SCHEMBL8488093

SCHEMBL8488093

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PER2 O15055 3/20 0.33
CRY1 Q16526 3/20 0.33
CRY2 Q49AN0 3/20 0.33
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8486390 0.72 S1PR1 (0.36) PER2CRY1CRY2
SCHEMBL8488046 0.72 PER2 (0.42) PER2CRY1CRY2
SCHEMBL8489654 0.72 S1PR1 (0.36) PER2CRY1CRY2
SCHEMBL8484814 0.70 CRY1 (0.49) PER2CRY1CRY2
Tetraxetan SCHEMBL5370171 0.63 HSD17B10 (0.58) HSD17B10
SCHEMBL8742068 0.63 MAPT (0.46) HSD17B10
SCHEMBL3668924 0.63 MAPT (0.46) HSD17B10
SCHEMBL6848102 0.63 HSD17B10 (0.64) HSD17B10
SCHEMBL173508 0.63 HSD17B10 (0.64) HSD17B10
Tetraxetan SCHEMBL18018 0.63 HSD17B10 (0.64) HSD17B10

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