SCHEMBL7681522

SCHEMBL7681522

C=CCN(C)CC=CCOc1ccc(C(=O)c2ccc(Br)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 20/20 1.00
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL7681518 1.00 LSS (1.00) LSSMEN1KMT2A
SCHEMBL7681511 1.00 LSS (1.00) LSSMEN1KMT2A
Bromide SCHEMBL7677221 0.99 LSS (0.98) LSSMEN1KMT2A
Bromide SCHEMBL7677213 0.99 LSS (0.98) LSSMEN1KMT2A
SCHEMBL7687558 0.89 LSS (0.80) LSSMEN1KMT2A
SCHEMBL9360244 0.89 LSS (0.80) LSSMEN1KMT2A
SCHEMBL7687561 0.89 LSS (0.80) LSSMEN1KMT2A
SCHEMBL3672712 0.88 LSS (0.78) LSS
SCHEMBL3735362 0.88 LSS (0.78) LSSMEN1KMT2A
SCHEMBL3735360 0.88 LSS (0.78) 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 4 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-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