SCHEMBL44965

SCHEMBL44965

O=C(O)Oc1cc(C(O)Cn2nnnc2C(F)(F)F)nn1-c1ncccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL341159 0.88 ALDH1A1 (0.33) TRPA1TRPV1
SCHEMBL45298 0.85 DHODH (0.33) TRPA1TRPV1
SCHEMBL45189 0.84 TRPA1 (0.34) TRPA1TRPV1
SCHEMBL9995913 0.80 TRPA1 (0.38) TRPA1TRPV1
SCHEMBL16014572 0.76 TRPA1 (0.37) TRPA1TRPV1
SCHEMBL45475 0.76 TRPA1 (0.35) TRPA1TRPV1
SCHEMBL9995946 0.76 TRPA1 (0.35) TRPA1TRPV1
SCHEMBL16014860 0.74 KDM4E (0.44) TRPA1TRPV1
SCHEMBL23142280 0.74 MARS1 (0.35) TRPA1TRPV1
SCHEMBL29454971 0.72 P2RX7 (0.34) TRPA1TRPV1

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