SCHEMBL3934718

SCHEMBL3934718

Cc1cc(COCCCCC(Oc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.61
KCNH2 Q12809 2/20 0.61

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
SCHEMBL3934714 1.00 CYP2D6 (0.61) CYP2D6KCNH2
SCHEMBL1258303 0.95 CYP2D6 (0.53) CYP2D6KCNH2
SCHEMBL1258301 0.95 CYP2D6 (0.53) CYP2D6KCNH2
SCHEMBL7797270 0.87 CYP2D6 (0.49) CYP2D6KCNH2
SCHEMBL3924795 0.84 CYP2D6 (0.81) CYP2D6KCNH2
SCHEMBL3924801 0.84 CYP2D6 (0.81) CYP2D6KCNH2
SCHEMBL3437070 0.84 CYP2D6 (0.59) CYP2D6KCNH2
SCHEMBL3436976 0.84 CYP2D6 (0.59) CYP2D6KCNH2
SCHEMBL4738604 0.82 CYP2D6 (0.59) CYP2D6KCNH2
SCHEMBL4739465 0.82 CYP2D6 (0.59) 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-2009008905-A1 HYDROXAMIC ACID DERIVATIVES OF PHENOXY-ACETIC ACIDS AND ANALOGS USEFUL AS THERAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARMA, LLC. 2009-01-15 WO disclosed