SCHEMBL6605532

SCHEMBL6605532

NCC(O)Cc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SLC18A3 Q16572 3/20 0.42
EPHX1 P07099 1/20 0.41
IDO1 P14902 4/20 0.40
SIGMAR1 Q99720 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
Oxalic Acid SCHEMBL6601897 0.91 PPARG (0.44) HTR2ATAAR1SLC18A3EPHX1SIGMAR1
SCHEMBL27465388 0.80 LOXL2 (0.48) CYP2D6CYP1A2CYP2C19
SCHEMBL29158041 0.80 CYP3A4 (0.46) HTR2ATAAR1SLC18A3IDO1SIGMAR1
SCHEMBL2457986 0.80 CYP3A4 (0.46) HTR2ATAAR1SLC18A3IDO1SIGMAR1
SCHEMBL16434845 0.78 LOXL2 (0.50) TAAR1IDO1PPARGPPARACYP2D6
SCHEMBL25703539 0.78 PPARG (0.42) HTR2ATAAR1SLC18A3IDO1SIGMAR1
SCHEMBL5982885 0.78 SLC18A3 (0.53) SLC18A3EPHX1SIGMAR1CYP1A2
SCHEMBL3865414 0.78 SLC18A3 (0.42) TAAR1SLC18A3SIGMAR1GRIN2DGRIN3B
SCHEMBL7991885 0.78 TAAR1 (0.46) TAAR1IDO1GRIN2DGRIN3BADRA1D
SCHEMBL5678777 0.77 EPHX1 (0.52) TAAR1EPHX1SIGMAR1CYP1A2

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-1397353-A1 2-(2,6-DISUBSTITUTED PHENYL)-4-ARYL-5-ALKYL-1,3-OXAZOLINE COMPOUNDS USEFUL AS INSECTICIDES AND ACARICIDES Dow Agrosciences LLC (US) 2004-03-17 EP disclosed
WO-2003000669-A1 2-(2,6-DISUBSTITUTED PHENYL)-4-ARYL-5-ALKYL-1,3-OXAZOLINE COMPOUNDS USEFUL AS INSECTICIDES AND ACARICIDES DOW AGROSCIENCES LLC (US) 2003-01-03 WO disclosed