SCHEMBL4436668

SCHEMBL4436668

CCN(C)C=Nc1cc(C(F)F)c(Oc2cccc(CCO)c2)cc1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ACHE P22303 2/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4447750 0.91 ACHE (0.31) ACHE
SCHEMBL4430577 0.88 CYP4F2 (0.36) CYP4F2CYP4A11ACHETSHRHSD17B10
SCHEMBL3301222 0.85 SMN1; SMN2 (0.33)
SCHEMBL3301217 0.85 SMN1; SMN2 (0.33)
SCHEMBL3305349 0.84 BCHE (0.31) ACHE
SCHEMBL3305356 0.84 BCHE (0.31) ACHE
SCHEMBL3299679 0.83 FAAH (0.30) ACHETSHR
SCHEMBL3305053 0.83 KDM4E (0.37) ACHETSHR
SCHEMBL3299676 0.83 FAAH (0.30) ACHETSHR
SCHEMBL16752571 0.83 KDM4E (0.37) ACHETSHR

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-2134170-A1 FLUORALKYLPHENYLAMIDINES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-23 EP disclosed
WO-2008110314-A1 FLUORALKYLPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-18 WO disclosed