SCHEMBL8904006

SCHEMBL8904006

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(C(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1)[C@@H](Cc1cscn1)C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.69

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
Zankiren SCHEMBL8352631 0.81 REN (1.00) REN
Zankiren SCHEMBL7441825 0.81 REN (1.00) REN
Zankiren SCHEMBL29885493 0.81 REN (1.00) REN
Zankiren SCHEMBL180700 0.81 REN (1.00) REN
Zankiren SCHEMBL8852548 0.81 REN (1.00) REN
Zankiren SCHEMBL121553 0.81 REN (0.99) REN
SCHEMBL30660206 0.76 REN (0.67) REN
SCHEMBL14034941 0.74 REN (0.78) REN
SCHEMBL14008235 0.74 REN (0.78) REN
SCHEMBL8852557 0.72 REN (0.71) REN

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-5668117-A NERVOUS SYSTEM DISORDERS USING AROMATIC ACID COMPOUNDS SECANT PHARMA, LLC 1997-09-16 — — US disclosed
Send feedback