SCHEMBL45356

SCHEMBL45356

O=C(O)Oc1cc(N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)nn1-c1ncccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.42
TRPV1 Q8NER1 4/20 0.42
MALT1 Q9UDY8 2/20 0.39
CYP17A1 P05093 2/20 0.34
HSD11B1 P28845 1/20 0.34
MAP3K14 Q99558 1/20 0.33

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
SCHEMBL339535 0.86 MALT1 (0.40) TRPA1TRPV1MALT1CYP17A1HSD11B1
SCHEMBL45076 0.81 MALT1 (0.40) TRPA1TRPV1MALT1HSD11B1
SCHEMBL16014860 0.76 KDM4E (0.44) TRPA1TRPV1MALT1HSD11B1
SCHEMBL9995913 0.74 TRPA1 (0.38) TRPA1TRPV1MALT1
SCHEMBL10118306 0.73 MALT1 (0.37) TRPA1TRPV1MALT1
SCHEMBL10118301 0.73 MALT1 (0.39) TRPA1TRPV1MALT1
SCHEMBL16014859 0.72 TRPA1 (0.41) TRPA1TRPV1MALT1
SCHEMBL44846 0.72 TRPV1 (0.50) TRPA1TRPV1
SCHEMBL10118308 0.71 MALT1 (0.36) TRPA1TRPV1MALT1
SCHEMBL10118302 0.71 MALT1 (0.37) TRPV1MALT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582688-B1 ANTHRANILIC ACID DIAMIDE DERIVATIVES BAYER IP GMBH (DE) 2015-10-07 EP disclosed
EP-2582688-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2013-04-24 EP disclosed
WO-2011157654-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-12-22 WO disclosed