SCHEMBL4433892

SCHEMBL4433892

CCN(C)C=Nc1cc(C)c(Oc2cccc(C(Cc3ccccc3)OC)c2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.34
BCHE P06276 8/20 0.32
ACHE P22303 8/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32

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
SCHEMBL4429656 0.89 BCHE (0.34) AOC3BCHEACHEMTNR1AMTNR1B
SCHEMBL4428137 0.89 PGR (0.33)
SCHEMBL2981433 0.87 AOC3 (0.35) AOC3
SCHEMBL2981435 0.87 AOC3 (0.35) AOC3
SCHEMBL2985087 0.87 AOC3 (0.30) AOC3
SCHEMBL2985090 0.87 AOC3 (0.30) AOC3
SCHEMBL2981436 0.85 FAAH (0.32) AOC3BCHEACHE
SCHEMBL2981439 0.85 FAAH (0.32) AOC3BCHEACHE
SCHEMBL2982768 0.84 PTGS1 (0.32) AOC3BCHEACHE
SCHEMBL2982765 0.84 PTGS1 (0.32) AOC3BCHEACHE

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-2136628-A2 PHENOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-30 EP claimed
WO-2008110280-A2 PHENOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-18 WO claimed