SCHEMBL4742683

SCHEMBL4742683

Cc1cc(NC(CCCCN(C(=O)Cc2ccccc2)C(=O)Cc2ccccc2)C(=O)NO)cc(C)c1F

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.56
KCNH2 Q12809 2/20 0.56

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
SCHEMBL9934388 1.00 CYP2D6 (0.56) CYP2D6KCNH2
SCHEMBL4740794 0.86 CYP2D6 (0.58) CYP2D6KCNH2
SCHEMBL8166321 0.83 CYP2D6 (0.63) CYP2D6KCNH2
SCHEMBL4741301 0.83 CYP2D6 (0.63) CYP2D6KCNH2
SCHEMBL4739264 0.83 CYP2D6 (0.58) CYP2D6KCNH2
SCHEMBL8167069 0.83 CYP2D6 (0.58) CYP2D6KCNH2
SCHEMBL4741284 0.81 CYP2D6 (0.84) CYP2D6KCNH2
SCHEMBL4739403 0.80 CYP2D6 (0.55) CYP2D6KCNH2
SCHEMBL8167073 0.80 CYP2D6 (0.55) CYP2D6KCNH2
SCHEMBL4739494 0.79 CYP2D6 (0.56) 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