SCHEMBL4742685

SCHEMBL4742685

Cc1cc(NC(CCCCNC(=O)C(c2ccccc2)c2ccccc2)C(=O)NO)cc(C)c1F

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.62
KCNH2 Q12809 2/20 0.62

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
SCHEMBL8171680 1.00 CYP2D6 (0.62) CYP2D6KCNH2
SCHEMBL4740800 0.86 CYP2D6 (0.62) CYP2D6KCNH2
SCHEMBL4740803 0.86 CYP2D6 (0.62) CYP2D6KCNH2
SCHEMBL4741301 0.84 CYP2D6 (0.63) CYP2D6KCNH2
SCHEMBL8166321 0.84 CYP2D6 (0.63) CYP2D6KCNH2
SCHEMBL4741161 0.83 CYP2D6 (0.66) CYP2D6KCNH2
SCHEMBL4741284 0.82 CYP2D6 (0.84) CYP2D6KCNH2
SCHEMBL4739456 0.82 CYP2D6 (0.60) CYP2D6KCNH2
SCHEMBL4739463 0.82 CYP2D6 (0.60) CYP2D6KCNH2
SCHEMBL8172050 0.81 CYP2D6 (0.60) 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