SCHEMBL7683408

SCHEMBL7683408

C=CCN(C)CC=CCOc1ccc(C(C)=O)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.56
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOB P27338 4/20 0.48
MAOA P21397 1/20 0.46
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL7683401 1.00 LSS (0.56) LSSMEN1KMT2AMAOBMAOA
SCHEMBL7685145 0.85 LSS (0.48) LSSMEN1KMT2AMAOB
SCHEMBL7683085 0.85 LSS (0.48) LSSMEN1KMT2AMAOBMAOA
SCHEMBL7685150 0.85 LSS (0.48) LSSMEN1KMT2AMAOB
SCHEMBL7683076 0.85 LSS (0.48) LSSMEN1KMT2AMAOBMAOA
SCHEMBL3679393 0.84 LSS (0.75) LSSMEN1KMT2A
SCHEMBL3679389 0.84 LSS (0.75) LSSMEN1KMT2A
SCHEMBL7681960 0.84 LSS (0.47) LSSMEN1KMT2AMAOBMAOA
SCHEMBL7681964 0.84 LSS (0.47) LSSMEN1KMT2AMAOBMAOA
SCHEMBL7681955 0.84 LSS (0.47) LSSMEN1KMT2AMAOBMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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