SCHEMBL27901468

SCHEMBL27901468

COC(=O)C1(NC(=O)Cc2cc(Br)c(F)cc2CN)CCC(C(F)(F)F)CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.31
ATF4 P18848 1/20 0.31

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
SCHEMBL2350641 0.88 SCN9A (0.32) SCN9A
SCHEMBL27901531 0.86 TRPV1 (0.33)
SCHEMBL27884318 0.85 SCN9A (0.30) SCN9A
SCHEMBL2356432 0.81 SCN9A (0.32) SCN9A
SCHEMBL12458140 0.78 FFAR4 (0.34)
SCHEMBL14689274 0.78 FFAR4 (0.34)
SCHEMBL12478443 0.78 FFAR4 (0.34)
SCHEMBL12458492 0.77 BACE1 (0.35) ATF4
SCHEMBL2350674 0.77 ACACB (0.40)
SCHEMBL12458137 0.77 ACACB (0.40)

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
CN-102844300-A Cyclic ketoenols for use in therapy BAYER SCHERING PHARMA AG 2012-12-26 CN disclosed