SCHEMBL3700933

SCHEMBL3700933

C=CCN(C)CC=CCOc1ccc(C(=O)c2ccc(Br)cc2)cc1F

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 20/20 0.71
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL7684578 1.00 LSS (0.71) LSSMEN1KMT2A
SCHEMBL3669369 0.89 LSS (0.74) LSSMEN1KMT2A
SCHEMBL3669371 0.89 LSS (0.74) LSSMEN1KMT2A
SCHEMBL7687517 0.88 LSS (0.66) LSSMEN1KMT2A
SCHEMBL7687514 0.88 LSS (0.66) LSSMEN1KMT2A
Hydrochloric Acid SCHEMBL7684564 0.87 LSS (0.64) LSSMEN1KMT2A
Hydrochloric Acid SCHEMBL7684573 0.87 LSS (0.64) LSSMEN1KMT2A
SCHEMBL3676963 0.86 LSS (0.52) LSSMEN1KMT2A
SCHEMBL3676960 0.86 LSS (0.52) LSSMEN1KMT2A
SCHEMBL3678870 0.86 LSS (0.58) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP claimed
US-5574071-A ADMINISTERING PHENYLALKYLAMINO KETONES HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US claimed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed
US-5637771-A Compound useful for lowering cholesterol HOFFMANN-LA ROCHE INC. (US) 1997-06-10 US disclosed
US-5574071-A ADMINISTERING PHENYLALKYLAMINO KETONES HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed
US-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed