SCHEMBL7300845

SCHEMBL7300845

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
NR3C2 P08235 8/20 0.45
NR3C1 P04150 5/20 0.45
MGLL Q99685 1/20 0.44
HCRTR2 O43614 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RORC P51449 2/20 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
SCHEMBL7298261 0.92 LMNA (0.58) LMNANR3C2NR3C1MGLLHCRTR2
SCHEMBL7305178 0.90 LMNA (0.58) LMNANR3C2NR3C1CTNNB1WNT3A
SCHEMBL8547759 0.90 LMNA (0.59) LMNANR3C2NR3C1CTNNB1WNT3A
SCHEMBL7299161 0.89 LMNA (0.71) LMNANR3C2NR3C1CTNNB1WNT3A
SCHEMBL7304570 0.87 LMNA (0.61) LMNANR3C2NR3C1CTNNB1WNT3A
SCHEMBL7305294 0.86 LMNA (0.54) LMNANR3C2NR3C1MGLLCTNNB1
SCHEMBL8544144 0.85 LMNA (0.53) LMNANR3C2NR3C1MGLLHCRTR2
SCHEMBL7302004 0.84 LMNA (0.55) LMNANR3C2NR3C1MGLL
SCHEMBL7301998 0.84 LMNA (0.53) LMNANR3C2NR3C1MGLLHCRTR2
SCHEMBL7299169 0.82 LMNA (0.58) LMNANR3C2NR3C1CTNNB1WNT3A

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-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
EP-0614893-B1 Benzoxazine derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1998-05-27 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
EP-0614893-A1 Benzoazine derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1994-09-14 EP disclosed