SCHEMBL7302522

SCHEMBL7302522

O=C(c1cccc(C(F)(F)F)c1)N1c2cc([N+](=O)[O-])ccc2OCC1CCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
NR3C1 P04150 3/20 0.42
NR3C2 P08235 3/20 0.42
PGR P06401 1/20 0.42
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
CCR2 P41597 1/20 0.38
SERPINE1 P05121 1/20 0.38
ENPP2 Q13822 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RBP4 P02753 1/20 0.36
MPO P05164 1/20 0.36
HSD11B1 P28845 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
SCHEMBL7305294 0.92 LMNA (0.54) LMNANR3C1NR3C2SLC6A9SLC6A5
SCHEMBL7299169 0.86 LMNA (0.58) LMNANR3C1NR3C2PGRCTNNB1
SCHEMBL7305405 0.85 LMNA (0.51) LMNANR3C1NR3C2SLC6A9SLC6A5
SCHEMBL8548928 0.85 LMNA (0.60) LMNANR3C1NR3C2PGRCTNNB1
SCHEMBL7298261 0.85 LMNA (0.58) LMNANR3C1NR3C2PGRCTNNB1
SCHEMBL7305217 0.85 LMNA (0.72) LMNANR3C1NR3C2PGRCTNNB1
SCHEMBL7301526 0.83 LMNA (0.62) LMNANR3C1NR3C2PGRCTNNB1
SCHEMBL7300845 0.78 LMNA (0.58) LMNANR3C1NR3C2CTNNB1WNT3A
SCHEMBL7305178 0.78 LMNA (0.58) LMNANR3C1NR3C2PGRCTNNB1
SCHEMBL8547759 0.77 LMNA (0.59) LMNANR3C1NR3C2CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666260-B1 3-(2-aminoethyl)-4-3-(trifluoromethyl)benzoyl-3,4-dihydro-2H-1,4-benzoxazine derivatives, their preparation and use in therapy SYNTHELABO (FR) 1999-08-04 EP disclosed
US-5550125-A BRAIN DISORDERS SYNTHELABO (FR) 1996-08-27 US disclosed
EP-0666260-A1 3-(2-aminoethyl)-4-3-(trifluoromethyl)benzoyl-3,4-dihydro-2H-1,4-benzoxazine derivatives, their preparation and use in therapy SYNTHELABO (FR) 1995-08-09 EP disclosed