SCHEMBL7299798

SCHEMBL7299798

COc1ccc2c(c1)N(C(=O)c1cccc(C(F)(F)F)c1)C(CCN(C)C1Cc3ccccc3C1)CO2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
GRIN2C Q14957 1/20 0.41
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR3C1 P04150 1/20 0.38
NR3C2 P08235 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL7301998 0.89 LMNA (0.53) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL7299793 0.85 LMNA (0.59) LMNAMEN1KMT2APOLBGAA
SCHEMBL7301526 0.85 LMNA (0.62) LMNAMEN1KMT2APOLBGAA
SCHEMBL7304570 0.84 LMNA (0.61) LMNAMEN1KMT2APOLBGAA
SCHEMBL7304686 0.77 LMNA (0.48) LMNAMEN1KMT2AALDH1A1NR3C1
SCHEMBL8548928 0.74 LMNA (0.60) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL7302004 0.73 LMNA (0.55) LMNAALDH1A1NPSR1NR3C1NR3C2
SCHEMBL7305217 0.73 LMNA (0.72) LMNAMEN1KMT2APOLBGAA
SCHEMBL8547759 0.73 LMNA (0.59) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL7299169 0.73 LMNA (0.58) LMNAMEN1KMT2APOLBNR3C1

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