SCHEMBL45449

SCHEMBL45449

O=C(O)Oc1cc(Nc2ccc(C(F)(F)F)cn2)nn1-c1ncccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.43
TRPA1 O75762 2/20 0.42
RPS6KA3 P51812 1/20 0.41
MAPT P10636 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
LIPE Q05469 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 1/20 0.37
MAPK3 P27361 1/20 0.36

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
SCHEMBL45448 0.85 TRPV1 (0.45) TRPV1TRPA1RPS6KA3MAPTGSK3A
SCHEMBL44829 0.83 TRPV1 (0.43) TRPV1TRPA1RPS6KA3MAPTGSK3A
SCHEMBL16014860 0.78 KDM4E (0.44) TRPV1TRPA1MAPT
SCHEMBL44846 0.78 TRPV1 (0.50) TRPV1TRPA1
SCHEMBL16014859 0.73 TRPA1 (0.41) TRPV1TRPA1
SCHEMBL16014572 0.72 TRPA1 (0.37) TRPV1TRPA1
SCHEMBL16014772 0.72 SLC16A3 (0.38) TRPV1TRPA1
SCHEMBL45196 0.72 OPRL1 (0.37) TRPV1TRPA1
SCHEMBL9995913 0.71 TRPA1 (0.38) TRPV1TRPA1
SCHEMBL45356 0.71 TRPA1 (0.42) 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 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