SCHEMBL6907658

SCHEMBL6907658

CCN=CN(C)c1cc(C)c(Oc2cccc(C(F)(F)F)c2Cl)cc1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.33
MAP2K1 Q02750 2/20 0.31
ANO1 Q5XXA6 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
SCHEMBL6905031 0.88 GRIN2B (0.31)
SCHEMBL4419970 0.78 HTR2A (0.40)
SCHEMBL4449622 0.77 MRGPRX4 (0.33) MRGPRX4MAP2K1ANO1
SCHEMBL4449620 0.77 MRGPRX4 (0.33) MRGPRX4MAP2K1ANO1
SCHEMBL4414450 0.75 AR (0.53)
SCHEMBL3699327 0.71 NR1H2 (0.36)
Ethyl Chloride SCHEMBL28260937 0.69 MRGPRX4 (0.43) MRGPRX4MAP2K1
SCHEMBL6029770 0.68 MRGPRX4 (0.37) MRGPRX4MAP2K1
SCHEMBL27983376 0.66 MRGPRX4 (0.44) MRGPRX4
SCHEMBL4448034 0.65 GRIN2B (0.33)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1424893-A1 FUNGICIDAL MIXTURE CONTAINING ARYLAMIDINE DERIVATIVES Bayer CropScience S.A. (FR) 2004-06-09 EP claimed
WO-2003024219-A1 FUNGICIDAL MIXTURE CONTAINING ARYLAMIDINE DERIVATIVES BAYER CROPSCIENCE S.A. (FR) 2003-03-27 WO claimed
EP-1424893-A1 FUNGICIDAL MIXTURE CONTAINING ARYLAMIDINE DERIVATIVES Bayer CropScience S.A. (FR) 2004-06-09 EP disclosed
WO-2003024219-A1 FUNGICIDAL MIXTURE CONTAINING ARYLAMIDINE DERIVATIVES BAYER CROPSCIENCE S.A. (FR) 2003-03-27 WO disclosed