SCHEMBL7688514

SCHEMBL7688514

CN(O)CC=CCOc1ccc(C(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 15/20 0.73
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PPARD Q03181 2/20 0.43
MAOB P27338 1/20 0.43
SRD5A2 P31213 1/20 0.42

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
SCHEMBL9553172 0.90 LSS (0.75) LSSMEN1LMNAMAPTMAPK1
SCHEMBL9361132 0.90 LSS (0.75) LSSMEN1LMNAMAPTMAPK1
SCHEMBL3679786 0.87 LSS (0.78) LSSMEN1LMNAMAPTMAPK1
SCHEMBL3679782 0.87 LSS (0.78) LSSMEN1LMNAMAPTMAPK1
SCHEMBL7685817 0.86 LSS (0.73) LSSMEN1LMNAMAPTMAPK1
SCHEMBL7685820 0.86 LSS (0.73) LSSMEN1LMNAMAPTMAPK1
Bromide SCHEMBL8903732 0.86 LSS (0.76) LSSMEN1LMNAMAPTMAPK1
Bromide SCHEMBL8048076 0.86 LSS (0.76) LSSMEN1LMNAMAPTMAPK1
SCHEMBL7681518 0.85 LSS (1.00) LSSMEN1KMT2A
SCHEMBL7681522 0.85 LSS (1.00) LSSMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US claimed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP claimed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP claimed
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed