SCHEMBL7304705

SCHEMBL7304705

O=C(c1ccccc1C(F)(F)F)N1c2cc(F)ccc2OCC1CCN1CCc2ccsc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.34
HTR1A P08908 3/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
SLC6A1 P30531 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.33
DRD2 P14416 3/20 0.33
HTR2A P28223 2/20 0.33
HTR7 P34969 2/20 0.33
DRD3 P35462 2/20 0.33
HTR2B P41595 2/20 0.33
SLC6A4 P31645 1/20 0.33
TP53 P04637 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 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
SCHEMBL7304698 0.86 LMNA (0.47) NR3C1PGRNR3C2L3MBTL1LMNA
SCHEMBL7311382 0.72 TRPV1 (0.47) HTR1A
SCHEMBL7300850 0.71 MAPT (0.44) NR3C1NR3C2MAPTLMNAHTR2B
SCHEMBL7298267 0.71 TP53 (0.44) NR3C1PGRNR3C2MAPTLMNA
SCHEMBL7299169 0.64 LMNA (0.58) NR3C1PGRNR3C2L3MBTL1LMNA
SCHEMBL7305178 0.63 LMNA (0.58) NR3C1PGRNR3C2L3MBTL1LMNA
SCHEMBL8543754 0.62 LMNA (0.64) NR3C1NR3C2L3MBTL1LMNAKMT2A
SCHEMBL11624911 0.57 ALDH1A1 (0.51) LMNADRD3HTR2BKCNH2ALDH1A1
SCHEMBL11623052 0.57 DRD2 (0.44) HTR1AMAPTL3MBTL1LMNADRD2
SCHEMBL9433032 0.57 KDM4E (0.50) MAPTLMNADRD2DRD3ALDH1A1

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 2 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-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