SCHEMBL3457258

SCHEMBL3457258

CCc1c(C)nc(N=CN(C)CC)nc1Oc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
CRHR1 P34998 1/20 0.32
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL13017251 1.00 HTR2A (0.33) HTR2ASLC6A4KCNH2CRHR1RXRA
SCHEMBL3457149 0.77 MAPK1 (0.45) HTR2ASLC6A4KCNH2CRHR1RXRA
SCHEMBL28099918 0.74 AR (0.40) HTR2ASLC6A4KCNH2
SCHEMBL1278451 0.73 HTR2A (0.40) HTR2ASLC6A4KCNH2
SCHEMBL119682 0.73 HTR2A (0.40) HTR2ASLC6A4KCNH2
SCHEMBL4428667 0.73 HTR2A (0.40) HTR2ASLC6A4KCNH2
SCHEMBL29427853 0.73 HTR2A (0.40) HTR2ASLC6A4KCNH2
SCHEMBL912518 0.69 HTR2A (0.37) HTR2ASLC6A4KCNH2
SCHEMBL912517 0.69 HTR2A (0.37) HTR2ASLC6A4KCNH2
SCHEMBL374922 0.69 HTR2A (0.37) HTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264010-A1 Hetarylamidines Bayer CropScience AG (DE) 2010-12-22 EP disclosed