SCHEMBL6275909

SCHEMBL6275909

O=C1[N]NN(CCc2ccc(C(F)(F)F)cc2)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.48
TAAR1 Q96RJ0 1/20 0.41
MAOB P27338 2/20 0.37
GPR84 Q9NQS5 1/20 0.37
HMOX1 P09601 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPA1 O75762 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CHRM5 P08912 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL6270946 0.80 DAO (0.44) DAOTAAR1GPR84TSHRLMNA
SCHEMBL6271676 0.70 TRPV1 (0.40) KIF11
SCHEMBL27913185 0.67 TAAR1 (0.52) DAOTAAR1MAOBHMOX1MAPT
SCHEMBL934227 0.67 TAAR1 (0.73) DAOTAAR1MAOBTSHR
SCHEMBL12150059 0.66 CA12 (0.56) DAOTAAR1MAOB
SCHEMBL7957008 0.65 ADRA1D (0.62) DAOMAPTSMN1; SMN2ADRA1DADRA1A
SCHEMBL16968233 0.64 DAO (0.41) DAOTAAR1MAOBGPR84HMOX1
SCHEMBL1046741 0.64 TAAR1 (0.61) DAOTAAR1MAOBKIF11
SCHEMBL5483410 0.63 TAAR1 (0.55) DAOTAAR1MAOBMAPT
SCHEMBL15734999 0.63 TAAR1 (0.55) TAAR1MAOB

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-1606271-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-12-21 EP disclosed
WO-2004080984-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-09-23 WO disclosed