SCHEMBL7681809

SCHEMBL7681809

C=CCN(C)CC=CCOc1ccc(C(=O)c2ccc(Br)cc2)c(C)c1F

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 20/20 0.64
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
SCHEMBL7681804 1.00 LSS (0.64) LSSMEN1KMT2A
Hydrochloric Acid SCHEMBL7681508 0.99 LSS (0.63) LSSMEN1KMT2A
Hydrochloric Acid SCHEMBL7681497 0.99 LSS (0.63) LSSMEN1KMT2A
SCHEMBL8056828 0.88 LSS (0.64) LSSMEN1KMT2A
SCHEMBL8480578 0.84 LSS (0.64) LSSMEN1KMT2A
SCHEMBL7687517 0.83 LSS (0.66) LSSMEN1KMT2A
SCHEMBL7687514 0.83 LSS (0.66) LSSMEN1KMT2A
SCHEMBL3700933 0.83 LSS (0.71) LSSMEN1KMT2A
SCHEMBL7684578 0.83 LSS (0.71) LSSMEN1KMT2A
Hydrochloric Acid SCHEMBL7684564 0.82 LSS (0.64) 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 3 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
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