SCHEMBL7687928

SCHEMBL7687928

C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 20/20 1.00
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL7688064 0.85 LSS (0.74) LSSMEN1KMT2A
SCHEMBL3811386 0.85 LSS (1.00) LSSMEN1KMT2A
SCHEMBL2131185 0.85 LSS (1.00) LSSMEN1KMT2A
Bromide SCHEMBL8048776 0.84 LSS (0.98) LSSMEN1KMT2A
SCHEMBL3671762 0.84 LSS (0.98) LSSMEN1KMT2A
Bromide SCHEMBL8047816 0.83 LSS (0.95) LSSMEN1KMT2A
SCHEMBL8045882 0.83 LSS (0.74) LSSMEN1KMT2A
SCHEMBL7679234 0.82 LSS (0.74) LSSMEN1KMT2A
SCHEMBL7679228 0.82 LSS (0.74) LSSMEN1KMT2A
Fumaric Acid SCHEMBL7688205 0.82 LSS (0.76) LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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