SCHEMBL7305178

SCHEMBL7305178

O=C(c1cccc(C(F)(F)F)c1)N1c2cc(F)ccc2OCC1CCCl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
NR3C2 P08235 9/20 0.45
NR3C1 P04150 7/20 0.45
PGR P06401 2/20 0.45
HSD11B1 P28845 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
RORC P51449 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7299169 0.91 LMNA (0.58) LMNANR3C2NR3C1PGRHSD11B1
SCHEMBL7300845 0.90 LMNA (0.58) LMNANR3C2NR3C1MEN1KMT2A
SCHEMBL8547759 0.90 LMNA (0.59) LMNANR3C2NR3C1L3MBTL1MEN1
SCHEMBL7299161 0.89 LMNA (0.71) LMNANR3C2NR3C1L3MBTL1MEN1
SCHEMBL7304570 0.87 LMNA (0.61) LMNANR3C2NR3C1MEN1KMT2A
SCHEMBL7305294 0.86 LMNA (0.54) LMNANR3C2NR3C1HSD11B1L3MBTL1
SCHEMBL7298261 0.83 LMNA (0.58) LMNANR3C2NR3C1PGRMEN1
SCHEMBL8548928 0.81 LMNA (0.60) LMNANR3C2NR3C1PGRL3MBTL1
SCHEMBL7305217 0.80 LMNA (0.72) LMNANR3C2NR3C1PGRL3MBTL1
SCHEMBL7304698 0.80 LMNA (0.47) LMNANR3C2NR3C1PGRHSD11B1

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-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
CN-1109880-A 3-(2-aminoethyl)-4-[3-(trifluoromethyl) benzoyl]-3,4-dihydro-1,4-benzoxazine derivative and preparation of same SYNTHELABO (FR) 1995-10-11 CN 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