SCHEMBL4743448

SCHEMBL4743448

CNc1ccc(S(=O)(=O)NCCCCC(Nc2cc(C)c(F)c(C)c2)C(=O)NO)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.58
KCNH2 Q12809 2/20 0.58

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
SCHEMBL9935311 1.00 CYP2D6 (0.58) CYP2D6KCNH2
SCHEMBL4739408 0.92 CYP2D6 (0.68) CYP2D6KCNH2
SCHEMBL9932937 0.92 CYP2D6 (0.68) CYP2D6KCNH2
SCHEMBL9935116 0.90 CYP2D6 (0.58) CYP2D6KCNH2
SCHEMBL4786751 0.90 CYP2D6 (0.58) CYP2D6KCNH2
SCHEMBL4742684 0.90 CYP2D6 (0.60) CYP2D6KCNH2
SCHEMBL4738497 0.90 CYP2D6 (0.61) CYP2D6KCNH2
SCHEMBL8171279 0.90 CYP2D6 (0.61) CYP2D6KCNH2
SCHEMBL4740793 0.90 CYP2D6 (0.55) CYP2D6KCNH2
SCHEMBL4786539 0.89 CYP2D6 (0.57) CYP2D6KCNH2

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
WO-2008094592-A1 HYDROXAMIC ACID DERIVATIVES OF ANILINE USEFUL AS THERAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARNA, LLC (US) 2008-08-07 WO disclosed