SCHEMBL7305405

SCHEMBL7305405

O=C(c1cccc(C(F)(F)F)c1)N1c2cc([N+](=O)[O-])ccc2OCC1CCNC1Cc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
NR3C2 P08235 4/20 0.38
NR3C1 P04150 2/20 0.38
CCR2 P41597 1/20 0.37
MAPT P10636 3/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SERPINE1 P05121 1/20 0.35
ITGAL P20701 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR7 P34969 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NAMPT P43490 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL7302522 0.85 LMNA (0.54) LMNANR3C2NR3C1CCR2MAPT
SCHEMBL7305294 0.85 LMNA (0.54) LMNANR3C2NR3C1CCR2MAPT
SCHEMBL7302004 0.78 LMNA (0.55) LMNANR3C2NR3C1CCR2ITGAL
SCHEMBL7299793 0.76 LMNA (0.59) LMNANR3C2NR3C1MAPTMEN1
Fumaric Acid SCHEMBL9229142 0.74 LMNA (0.51) LMNANR3C2NR3C1ITGALALDH1A1
SCHEMBL7301998 0.73 LMNA (0.53) LMNANR3C2NR3C1MEN1KMT2A
SCHEMBL7305217 0.73 LMNA (0.72) LMNANR3C2NR3C1MEN1KMT2A
SCHEMBL7299169 0.72 LMNA (0.58) LMNANR3C2NR3C1MEN1KMT2A
SCHEMBL7299161 0.72 LMNA (0.71) LMNANR3C2NR3C1MEN1KMT2A
SCHEMBL7302805 0.72 LMNA (0.71) LMNANR3C2NR3C1MEN1KMT2A

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