SCHEMBL44846

SCHEMBL44846

O=C(O)Oc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1-c1ncccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.50
TRPA1 O75762 1/20 0.45
PTGS1 P23219 1/20 0.44
EPHX2 P34913 1/20 0.44
PTGS2 P35354 1/20 0.44
NPY5R Q15761 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
GRM4 Q14833 1/20 0.41

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
SCHEMBL44847 0.83 TRPV1 (0.53) TRPV1TRPA1PTGS1EPHX2PTGS2
SCHEMBL16014860 0.79 KDM4E (0.44) TRPV1TRPA1
SCHEMBL45449 0.78 TRPV1 (0.43) TRPV1TRPA1
SCHEMBL45196 0.76 OPRL1 (0.37) TRPV1TRPA1
SCHEMBL45281 0.74 TRPA1 (0.35) TRPV1TRPA1
SCHEMBL10118252 0.73 TRPV1 (0.43) TRPV1NPY5R
SCHEMBL10118261 0.73 TRPV1 (0.45) TRPV1NPY5R
SCHEMBL16014859 0.73 TRPA1 (0.41) TRPV1TRPA1
SCHEMBL16014772 0.73 SLC16A3 (0.38) TRPV1TRPA1
SCHEMBL16014572 0.73 TRPA1 (0.37) TRPV1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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