SCHEMBL7683352

SCHEMBL7683352

C=CCN(C)CCCCCCOC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LSS P48449 19/20 0.55
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL5046097 0.99 LSS (0.53) LSSTSHRMEN1KMT2A
SCHEMBL6446822 0.96 LSS (0.49) LSSTSHRMEN1KMT2A
Fumaric Acid SCHEMBL5043439 0.91 LSS (0.49) LSSTSHR
Fumaric Acid SCHEMBL5043436 0.91 LSS (0.49) LSSTSHR
SCHEMBL5035581 0.89 LSS (0.53) LSSMEN1KMT2A
SCHEMBL4804605 0.82 LSS (0.59) LSSMEN1KMT2A
SCHEMBL4804613 0.82 LSS (0.59) LSSMEN1KMT2A
SCHEMBL4804919 0.81 LSS (0.57) LSSMEN1KMT2A
SCHEMBL4804917 0.81 LSS (0.57) LSSMEN1KMT2A
SCHEMBL27579081 0.81 LSS (0.56) 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