SCHEMBL7304570

SCHEMBL7304570

COc1ccc2c(c1)N(C(=O)c1cccc(C(F)(F)F)c1)C(CCCl)CO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
GRIN2C Q14957 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR3C1 P04150 1/20 0.41
NR3C2 P08235 1/20 0.41
RORC P51449 1/20 0.41
CCR2 P41597 1/20 0.39
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 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
SCHEMBL7301526 0.92 LMNA (0.62) LMNAMEN1KMT2APOLBGAA
SCHEMBL8547759 0.88 LMNA (0.59) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL7300845 0.87 LMNA (0.58) LMNAMEN1KMT2APOLBNR3C1
SCHEMBL7305178 0.87 LMNA (0.58) LMNAMEN1KMT2APOLBNR3C1
SCHEMBL7299161 0.86 LMNA (0.71) LMNAMEN1KMT2APOLBGAA
SCHEMBL7299798 0.84 LMNA (0.56) LMNAMEN1KMT2APOLBGAA
SCHEMBL7299793 0.84 LMNA (0.59) LMNAMEN1KMT2APOLBGAA
SCHEMBL7305294 0.83 LMNA (0.54) LMNAMEN1KMT2APOLBNR3C1
SCHEMBL7298261 0.80 LMNA (0.58) LMNAMEN1KMT2APOLBNR3C1
SCHEMBL8548928 0.80 LMNA (0.60) LMNAMEN1KMT2APOLBALDH1A1

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