SCHEMBL7683282

SCHEMBL7683282

CN(CC1CC1COc1ccc(C(=O)c2ccc(Br)cc2)cc1F)C1CC1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.72
ACHE P22303 1/20 0.39
FFAR4 Q5NUL3 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Fumaric Acid SCHEMBL7686204 0.94 LSS (0.65) LSSACHE
SCHEMBL7677627 0.88 LSS (0.58) LSSACHE
SCHEMBL17358775 0.84 LSS (1.00) LSSMEN1KMT2A
SCHEMBL7687794 0.84 LSS (1.00) LSSMEN1KMT2A
Fumaric Acid SCHEMBL7686380 0.84 LSS (0.53) LSSACHEFFAR4
Hydrochloric Acid SCHEMBL7687467 0.83 LSS (0.98) LSSFFAR4MEN1KMT2A
SCHEMBL17358774 0.82 LSS (1.00) LSSMEN1KMT2A
SCHEMBL7688275 0.82 LSS (1.00) LSSMEN1KMT2A
SCHEMBL7683275 0.80 LSS (0.45) LSSFFAR4
Fumaric Acid SCHEMBL7687490 0.79 LSS (0.88) 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 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