SCHEMBL8328842

SCHEMBL8328842

CNC(=O)OC(c1cnccc1C(F)(F)F)c1cnccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SSTR4 P31391 6/20 0.35
CFTR P13569 1/20 0.34
SCD O00767 1/20 0.34
SCD5 Q86SK9 1/20 0.34
RBP4 P02753 1/20 0.34
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8328825 0.85 SSTR4 (0.38) NPC1POLBTRPM8GAAMAPT
SCHEMBL9028582 0.84 SCN9A (0.40) NPC1POLB
SCHEMBL8326882 0.81 MAPT (0.40) NPC1POLBTRPM8GAAMAPT
SCHEMBL8330141 0.75 MAPT (0.34) TRPM8MAPTSSTR4ALDH1A1
SCHEMBL8745942 0.75 CYP3A4 (0.37) POLBALDH1A1
SCHEMBL9028593 0.73 CNR1 (0.40)
SCHEMBL9028568 0.72 SCN9A (0.37) POLBALDH1A1
SCHEMBL8802627 0.71 SSTR4 (0.37) NPC1POLBTRPM8GAAMAPT
SCHEMBL9028891 0.71 LIMK1 (0.37) POLBALDH1A1
SCHEMBL8327868 0.70 MAPT (0.38) TRPM8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758321-B1 3-SUBSTITUTED PYRIDINE COMPOUNDS AND DERIVATIVES THEREOF AS HERBICIDES ZENECA LTD (GB) 1999-04-21 EP disclosed
US-5763357-A HERBICIDES ZENECA LIMITED (GB) 1998-06-09 US disclosed
EP-0758321-A1 3-SUBSTITUTED PYRIDINE COMPOUNDS AND DERIVATIVES THEREOF AS HERBICIDES ZENECA LIMITED (GB) 1997-02-19 EP disclosed
US-5595958-A HERBICIDES ZENECA LIMITED (GB) 1997-01-21 US disclosed
WO-1995029893-A1 3-SUBSTITUTED PYRIDINE COMPOUNDS AND DERIVATIVES THEREOF AS HERBICIDES ZENECA LIMITED (GB) 1995-11-09 WO disclosed