SCHEMBL7300283

SCHEMBL7300283

OCCC1COc2ccc(Cl)cc2N1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.38
ALPL P05186 1/20 0.37
GAA P10253 1/20 0.35
MAOB P27338 1/20 0.35
CSF1R P07333 1/20 0.34
GSK3B P49841 1/20 0.34
RPS6KA3 P51812 1/20 0.34
PRKAA1 Q13131 1/20 0.34
STK3 Q13188 1/20 0.34
CA2 P00918 2/20 0.33
CYP19A1 P11511 1/20 0.33
CA1 P00915 1/20 0.33
NR3C2 P08235 3/20 0.33
NR3C1 P04150 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HCRTR2 O43614 1/20 0.32
MAP3K14 Q99558 2/20 0.32
PNMT P11086 1/20 0.32

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
SCHEMBL7297099 0.82 NR3C2 (0.41) GAACA2CYP19A1NR3C2NR3C1
SCHEMBL8544441 0.82 GAA (0.43) GAACA2CYP19A1NR3C2NR3C1
SCHEMBL7414453 0.82 CA2 (0.37) CHEK1GAAMAOBCSF1RGSK3B
SCHEMBL7304045 0.80 NR3C2 (0.44) CHEK1MAOBCYP19A1NR3C2NR3C1
SCHEMBL7297114 0.79 MTNR1A (0.41) CYP19A1DRD2DRD3
SCHEMBL7297828 0.78 GAA (0.55) GAADRD3
SCHEMBL3214130 0.76 TRPM5 (0.37) CHEK1ALPLGAAMAOBCA2
SCHEMBL24776758 0.73 NR3C2 (0.39) GAACA2CYP19A1NR3C2NR3C1
SCHEMBL11850014 0.73 AR (0.40) CHEK1MAOBCSF1RGSK3BRPS6KA3
SCHEMBL11557521 0.73 CA2 (0.35) CHEK1CSF1RGSK3BRPS6KA3PRKAA1

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 8 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
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
US-5447928-A Antiischemic agents and nervous system disorders SYNTHELABO (FR) 1995-09-05 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
CN-1099032-A Benzoxazine derivatives, their preparation and their use in medicine SYNTHELABO (FR) 1995-02-22 CN disclosed
EP-0614893-A1 Benzoazine derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1994-09-14 EP disclosed