SCHEMBL3980667

SCHEMBL3980667

CC(C)N1CCCC(N)C1I

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3973550 0.87
SCHEMBL24571251 0.77 THRB (0.38) THRBMEN1KMT2A
SCHEMBL29348154 0.77 THRB (0.38) THRBMEN1KMT2A
SCHEMBL23970304 0.77 THRB (0.38) THRBMEN1KMT2A
SCHEMBL18713045 0.73
SCHEMBL17010885 0.73
SCHEMBL24850547 0.71 THRB (0.32) THRBMEN1KMT2A
SCHEMBL29296272 0.69 THRB (0.40) THRBMEN1KMT2A
SCHEMBL3973463 0.69
SCHEMBL24850022 0.68 THRB (0.30) THRBMEN1KMT2A

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
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO disclosed