SCHEMBL45196

SCHEMBL45196

O=C(O)Oc1cc(C(=O)c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.37
TRPA1 O75762 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
DGAT2 Q96PD7 7/20 0.36
RORC P51449 3/20 0.35
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 1/20 0.33
MRGPRX4 Q96LA9 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
SCHEMBL45195 0.86 OPRL1 (0.39) OPRL1TRPA1TRPV1DGAT2RORC
SCHEMBL44880 0.83 OPRL1 (0.41) OPRL1TRPA1TRPV1DGAT2
SCHEMBL16014860 0.83 KDM4E (0.44) TRPA1TRPV1HSD11B1
SCHEMBL44846 0.76 TRPV1 (0.50) TRPA1TRPV1
SCHEMBL45281 0.73 TRPA1 (0.35) TRPA1TRPV1
SCHEMBL44926 0.73 TRPA1 (0.36) TRPA1TRPV1
SCHEMBL4349665 0.73 KDM4E (0.40) OPRL1TRPA1TRPV1
SCHEMBL16014859 0.73 TRPA1 (0.41) TRPA1TRPV1
SCHEMBL16530247 0.72 TRPA1 (0.35) OPRL1TRPA1TRPV1
SCHEMBL16014772 0.72 SLC16A3 (0.38) TRPA1TRPV1RORC

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