SCHEMBL8326882

SCHEMBL8326882

CN(C)C(=O)OC(c1cnccc1C(F)(F)F)c1cnccc1C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
GPBAR1 Q8TDU6 5/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
GAA P10253 1/20 0.34
RBP4 P02753 1/20 0.34
KLRK1 P26718 2/20 0.33
MICA Q29983 2/20 0.33
RAET1L Q5VY80 2/20 0.33
POLQ O75417 2/20 0.33
MGLL Q99685 1/20 0.33
CYP11B2 P19099 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
SCHEMBL8327868 0.88 MAPT (0.38) MAPTGPBAR1TRPM8POLQ
SCHEMBL9030025 0.84 GPBAR1 (0.38) MAPTGPBAR1
SCHEMBL8328842 0.81 NPC1 (0.38) MAPTNPC1POLBTRPM8GAA
SCHEMBL8328825 0.77 SSTR4 (0.38) MAPTNPC1POLBTRPM8GAA
SCHEMBL8745964 0.75 ITGB1 (0.41) POLQ
SCHEMBL8550618 0.74 LIPE (0.43) GPBAR1POLQ
SCHEMBL8549639 0.74 GPBAR1 (0.37) MAPTGPBAR1RBP4MGLL
SCHEMBL9029347 0.73 ROCK2 (0.37) NPC1GPBAR1GAA
SCHEMBL8327409 0.70 NPC1 (0.38) MAPTNPC1POLBTRPM8GAA
SCHEMBL29435625 0.70 RPS6KA3 (0.39) NPC1POLBTRPM8

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