SCHEMBL7298355

SCHEMBL7298355

O=C(O)CC1COc2ccccc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
MOGAT2 Q3SYC2 2/20 0.44
HTT P42858 2/20 0.43
HPGD P15428 6/20 0.43
ALDH1A1 P00352 2/20 0.43
EGFR P00533 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGB2 P05107 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA2B P08514 1/20 0.40
ITGA5 P08648 1/20 0.40
ITGB5 P18084 1/20 0.40
ITGAL P20701 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
NPC1 O15118 2/20 0.38

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
SCHEMBL17363665 0.82 GAA (0.48) GAAMOGAT2HTTHPGDALDH1A1
SCHEMBL17363928 0.81 FFAR1 (0.40) GAAITGB3ITGB2ITGB1ITGAV
SCHEMBL17363943 0.81 FFAR1 (0.40) GAAITGB3ITGB2ITGB1ITGAV
SCHEMBL17363828 0.81 FFAR1 (0.40) GAAITGB3ITGB2ITGB1ITGAV
SCHEMBL7302983 0.80 L3MBTL1 (0.47) GAAMOGAT2ALDH1A1KDM4EALOX15
SCHEMBL5466546 0.80 GAA (0.57) GAAMOGAT2HTTHPGDALDH1A1
SCHEMBL8546869 0.80 MMP12 (0.42) GAAHTTALDH1A1ALOX15HSD17B10
SCHEMBL7304045 0.80 NR3C2 (0.44) PPARGPPARD
SCHEMBL17363926 0.80 AKR1B1 (0.41) GAAITGB3ITGB2ITGB1ITGAV
SCHEMBL17363798 0.80 AKR1B1 (0.41) GAAITGB3ITGB2ITGB1ITGAV

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