SCHEMBL8090559

SCHEMBL8090559

O=C1N(O)CCCN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.55
DRD3 P35462 3/20 0.55
KCNH2 Q12809 1/20 0.50
ALOX5 P09917 2/20 0.49
CYP17A1 P05093 2/20 0.48
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR1D P28221 1/20 0.46
HTR2C P28335 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
POLB P06746 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL8099112 0.91 DRD2 (0.57) DRD2DRD3KCNH2ALOX5CYP17A1
SCHEMBL10965901 0.85 DRD2 (0.57) DRD2DRD3KCNH2ALOX5CYP17A1
SCHEMBL5113275 0.78 ALOX5 (0.59) DRD2DRD3ALOX5HTR3EHTR3B
SCHEMBL8098411 0.77 ALOX5 (0.55) DRD2DRD3ALOX5HTR3EHTR3B
SCHEMBL8099178 0.76 POLB (0.50) DRD2DRD3ALOX5CYP17A1POLB
SCHEMBL8099218 0.75 DRD2 (0.45) DRD2DRD3KCNH2CYP17A1ALDH1A1
SCHEMBL8099089 0.75 DRD2 (0.50) DRD2DRD3KCNH2ALOX5CYP17A1
SCHEMBL432973 0.74 ALOX5 (0.55) DRD2DRD3KCNH2ALOX5HTR3E
SCHEMBL3563541 0.74 DRD2 (0.55) DRD2DRD3KCNH2ALOX5CYP17A1
SCHEMBL9819261 0.73 DRD2 (0.54) DRD2DRD3KCNH2ALOX5CYP17A1

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-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed