SCHEMBL7304698

SCHEMBL7304698

O=C(c1cccc(C(F)(F)F)c1)N1c2cc(F)ccc2OCC1CCN1CCc2ccsc2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
NR3C2 P08235 8/20 0.37
NR3C1 P04150 7/20 0.37
PGR P06401 1/20 0.37
HSD11B1 P28845 1/20 0.36
CCR2 P41597 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 1/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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 0.80 LMNA (0.58) LMNANR3C2NR3C1PGRHSD11B1
SCHEMBL8544144 0.80 LMNA (0.53) LMNANR3C2NR3C1CCR2POLB
SCHEMBL7305178 0.80 LMNA (0.58) LMNANR3C2NR3C1PGRHSD11B1
SCHEMBL8546477 0.78 LMNA (0.51) LMNAMEN1KMT2A
SCHEMBL8542630 0.77 LMNA (0.62) LMNAL3MBTL1POLBMEN1KMT2A
SCHEMBL8543754 0.75 LMNA (0.64) LMNANR3C2NR3C1L3MBTL1POLB
SCHEMBL7311376 0.73 LMNA (0.54) LMNA
SCHEMBL8548928 0.71 LMNA (0.60) LMNANR3C2NR3C1PGRL3MBTL1
SCHEMBL7298261 0.71 LMNA (0.58) LMNANR3C2NR3C1PGRPOLB
SCHEMBL7300845 0.71 LMNA (0.58) LMNANR3C2NR3C1POLBHPGD

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