Sugi Predict

Sugi Predict / Compounds / SCHEMBL7302805

SCHEMBL7302805

SCHEMBL7302805

NCCC1COc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.71
▸ ALDH1A1 P00352 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ NR3C2 P08235 6/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CTNNB1 P35222 1/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ NR3C1 P04150 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RBP4 P02753 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40

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
SCHEMBL7305217 0.91 LMNA (0.72) LMNAALDH1A1NPSR1NR3C2L3MBTL1
SCHEMBL7299161 0.90 LMNA (0.71) LMNAALDH1A1NPSR1NR3C2L3MBTL1
SCHEMBL7299169 0.80 LMNA (0.58) LMNANR3C2L3MBTL1POLBMEN1
SCHEMBL7300845 0.79 LMNA (0.58) LMNANR3C2POLBMEN1KMT2A
SCHEMBL8548928 0.79 LMNA (0.60) LMNAALDH1A1NPSR1NR3C2L3MBTL1
SCHEMBL7298261 0.79 LMNA (0.58) LMNANR3C2POLBMEN1KMT2A
SCHEMBL7305178 0.79 LMNA (0.58) LMNANR3C2L3MBTL1POLBMEN1
SCHEMBL8543754 0.79 LMNA (0.64) LMNAALDH1A1NPSR1NR3C2L3MBTL1
SCHEMBL8547759 0.79 LMNA (0.59) LMNAALDH1A1NPSR1NR3C2L3MBTL1
SCHEMBL8542630 0.77 LMNA (0.62) LMNAALDH1A1NPSR1L3MBTL1POLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7278123-A — — None — — JP disclosed
JP-7278123-A — — None — — JP disclosed
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-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
JP-H07278123-A 3-(2-AMINOETHYL)-4-(3-(TRIFLUOROMETHYL)BENZOYL)-3, 4-DIHYDRO-2H-1,4-BENZOXAZINE DERIVATIVE, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SYNTHELABO SA 1995-10-24 — — JP disclosed
JP-H07278123-A 3-(2-AMINOETHYL)-4-(3-(TRIFLUOROMETHYL)BENZOYL)-3, 4-DIHYDRO-2H-1,4-BENZOXAZINE DERIVATIVE, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SYNTHELABO SA 1995-10-24 — — JP 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
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
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-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