SCHEMBL4742737

SCHEMBL4742737

Cc1cc(NC(CC(C)C)C(=O)NO)cc(C)c1F

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.54
KCNH2 Q12809 2/20 0.54

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
SCHEMBL8167915 1.00 CYP2D6 (0.54) CYP2D6KCNH2
SCHEMBL8170251 0.86 CYP2D6 (0.59) CYP2D6KCNH2
SCHEMBL8171162 0.86 CYP2D6 (0.55) CYP2D6KCNH2
SCHEMBL4741451 0.86 CYP2D6 (0.55) CYP2D6KCNH2
SCHEMBL4786469 0.86 CYP2D6 (0.59) CYP2D6KCNH2
SCHEMBL4783362 0.84 CYP2D6 (0.60) CYP2D6KCNH2
SCHEMBL8170258 0.84 CYP2D6 (0.60) CYP2D6KCNH2
SCHEMBL8165771 0.81 CYP2D6 (0.64) CYP2D6KCNH2
SCHEMBL4740780 0.81 CYP2D6 (0.64) CYP2D6KCNH2
SCHEMBL8167152 0.81 CYP2D6 (0.64) 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