SCHEMBL8842201

SCHEMBL8842201

[CH2]C(N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)N(CC(=O)OC(C)(C)C)CC(C)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32

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
SCHEMBL7562972 0.73 CYP2D6 (0.41) CYP2D6
Acetic Acid SCHEMBL6839802 0.72 CYP2D6 (0.33) CYP2D6
SCHEMBL4332983 0.70 CYP2D6 (0.33) CYP2D6
SCHEMBL4332980 0.70 CYP2D6 (0.33) CYP2D6
SCHEMBL4347578 0.70 CYP2D6 (0.33) CYP2D6
SCHEMBL9338982 0.68 CYP2D6 (0.37) CYP2D6
SCHEMBL4338603 0.68 CYP2D6 (0.34) CYP2D6
SCHEMBL7563852 0.68 CYP2D6 (0.34) CYP2D6
SCHEMBL20684338 0.68 LMNA (0.36)
SCHEMBL3265048 0.68 CTSK (0.37) CYP2D6

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-5693309-A Substituted complexing agents, complexes, and complex salts, processes for their production, and pharmaceuticals containing same SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed