SCHEMBL7687794

SCHEMBL7687794

CN(CC1CC1COc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 16/20 1.00
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAOB P27338 1/20 0.38

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
SCHEMBL17358775 1.00 LSS (1.00) LSSMEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL7687467 0.99 LSS (0.98) LSSMEN1KMT2ALMNAMAPT
Fumaric Acid SCHEMBL7687490 0.94 LSS (0.88) LSS
SCHEMBL17358774 0.87 LSS (1.00) LSSMEN1KMT2A
SCHEMBL7688275 0.87 LSS (1.00) LSSMEN1KMT2A
SCHEMBL7685531 0.85 LSS (0.74) LSSMEN1KMT2ALMNAMAPT
SCHEMBL7681227 0.85 LSS (0.73) LSSMEN1KMT2ALMNAMAPT
SCHEMBL7683282 0.84 LSS (0.72) LSSMEN1KMT2A
Fumaric Acid SCHEMBL7685407 0.82 LSS (0.90) LSSMEN1KMT2A
SCHEMBL7687943 0.81 LSS (1.00) 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