SCHEMBL7311376

SCHEMBL7311376

O=C(c1cccc(C(F)(F)F)c1)N1c2ccccc2OCC1CCN1CCc2c([nH]c3ccccc23)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
TRPV1 Q8NER1 5/20 0.46
DRD2 P14416 1/20 0.45
CDK4 P11802 5/20 0.41
CCND1 P24385 5/20 0.41
SIGMAR1 Q99720 1/20 0.40
GRIN2B Q13224 1/20 0.39

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
SCHEMBL7311382 0.86 TRPV1 (0.47) HTR1AADRA1DADRA1AADRA1BTRPV1
SCHEMBL8542630 0.79 LMNA (0.62) LMNAGRIN2B
SCHEMBL8543754 0.78 LMNA (0.64) LMNA
SCHEMBL7305217 0.77 LMNA (0.72) LMNA
SCHEMBL7299161 0.76 LMNA (0.71) LMNA
SCHEMBL7302805 0.76 LMNA (0.71) LMNAHTR1AADRA1DADRA1AADRA1B
SCHEMBL8544144 0.74 LMNA (0.53) LMNA
SCHEMBL7304698 0.73 LMNA (0.47) LMNA
SCHEMBL8546477 0.71 LMNA (0.51) LMNADRD2SIGMAR1
SCHEMBL7299169 0.68 LMNA (0.58) LMNA

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 3 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
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