SCHEMBL7681749

SCHEMBL7681749

CN(CCCCCCOc1ccccc1C(=O)c1ccc(Br)cc1)C1CC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LSS P48449 19/20 0.71
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL17358769 0.82 LSS (0.98) LSSMEN1KMT2A
SCHEMBL7681900 0.79 LSS (1.00) LSSMEN1KMT2A
SCHEMBL7681754 0.77 LSS (0.44) LSSMEN1KMT2AKDM4E
SCHEMBL23175185 0.73 RAB9A (0.57) MEN1KMT2AKDM4E
SCHEMBL3440830 0.71 DRD2 (0.52) LSSMEN1KMT2AKDM4E
SCHEMBL8485029 0.69 LSS (0.65) LSSMEN1KMT2A
SCHEMBL6433586 0.69 LMNA (0.68) MEN1KMT2A
SCHEMBL5898795 0.69 LMNA (0.68) MEN1KMT2A
SCHEMBL19783672 0.69 PPARA (0.61) MEN1KMT2A
SCHEMBL536375 0.69 LMNA (0.68) MEN1KMT2A

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 10 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
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US claimed
CN-1158844-A Tertiary amines HOFFMANN LA ROCHE (CH) 1997-09-10 CN 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
CN-1158844-A Tertiary amines HOFFMANN LA ROCHE (CH) 1997-09-10 CN disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed