SCHEMBL6905031

SCHEMBL6905031

CCN=CN(C)c1cc(C)c(Oc2cccc(C(F)(F)F)c2F)cc1C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL6907658 0.88 MRGPRX4 (0.33)
SCHEMBL4419970 0.81 HTR2A (0.40)
SCHEMBL4448032 0.77 GRIN2B (0.33) GRIN2B
SCHEMBL4448034 0.77 GRIN2B (0.33) GRIN2B
SCHEMBL4414450 0.76 AR (0.53)
SCHEMBL3699327 0.72 NR1H2 (0.36)
SCHEMBL560117 0.69 THRA (0.30)
SCHEMBL28468855 0.68 IDO1 (0.41)
SCHEMBL14397396 0.68 AR (0.48) GPBAR1
SCHEMBL6030331 0.67 CHEK2 (0.39)

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-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