SCHEMBL3924801

SCHEMBL3924801

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.81
KCNH2 Q12809 3/20 0.81

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
SCHEMBL3924795 1.00 CYP2D6 (0.81) CYP2D6KCNH2
SCHEMBL1257875 0.95 CYP2D6 (0.73) CYP2D6KCNH2
SCHEMBL1257877 0.95 CYP2D6 (0.73) CYP2D6KCNH2
SCHEMBL3934714 0.84 CYP2D6 (0.61) CYP2D6KCNH2
SCHEMBL3934718 0.84 CYP2D6 (0.61) CYP2D6KCNH2
SCHEMBL3436940 0.82 CYP2D6 (0.82) CYP2D6KCNH2
SCHEMBL1255653 0.82 CYP2D6 (0.67) CYP2D6KCNH2
SCHEMBL1255657 0.82 CYP2D6 (0.67) CYP2D6KCNH2
SCHEMBL4741816 0.81 CYP2D6 (0.81) CYP2D6KCNH2
SCHEMBL4741822 0.81 CYP2D6 (0.81) 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