SCHEMBL7300850

SCHEMBL7300850

O=C(c1ccccc1C(F)(F)F)N1c2cc(Cl)ccc2OCC1CCCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MGLL Q99685 2/20 0.41
NR3C1 P04150 2/20 0.40
NR3C2 P08235 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2B P41595 1/20 0.39
MAPK14 Q16539 1/20 0.39
CTNNB1 P35222 2/20 0.38
WNT3A P56704 2/20 0.38
CHRM1 P11229 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 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
SCHEMBL7298267 0.92 TP53 (0.44) MAPTTP53POLBMGLLNR3C1
SCHEMBL7300845 0.82 LMNA (0.58) POLBMGLLNR3C1NR3C2MEN1
SCHEMBL7298261 0.74 LMNA (0.58) POLBMGLLNR3C1NR3C2MEN1
SCHEMBL7299161 0.72 LMNA (0.71) TP53POLBNR3C1NR3C2MEN1
SCHEMBL7305178 0.72 LMNA (0.58) POLBNR3C1NR3C2MEN1KMT2A
SCHEMBL8547759 0.71 LMNA (0.59) MAPTTP53POLBNR3C1NR3C2
SCHEMBL7304705 0.71 SCD (0.34) MAPTTP53NR3C1NR3C2MEN1
SCHEMBL8544144 0.70 LMNA (0.53) POLBMGLLNR3C1NR3C2MEN1
SCHEMBL7304570 0.69 LMNA (0.61) POLBNR3C1NR3C2MEN1KMT2A
SCHEMBL7302004 0.69 LMNA (0.55) MGLLNR3C1NR3C2LMNA

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