SCHEMBL4027142

SCHEMBL4027142

Cc1c(F)cccc1C1[C@@H](C(=O)c2cc(O)ccc2F)CN(CCN)C[C@@H]1C(=O)c1cc(O)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MGLL Q99685 6/20 0.33
ESR1 P03372 3/20 0.33
ESR2 Q92731 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KIF11 P52732 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13720775 0.87 MEN1 (0.35) CYP2D6TAAR1MGLLMEN1KMT2A
SCHEMBL4024525 0.87 MEN1 (0.35) CYP2D6TAAR1MGLLMEN1KMT2A
SCHEMBL4024540 0.87 MEN1 (0.35) CYP2D6TAAR1MGLLMEN1KMT2A
SCHEMBL4022240 0.86
SCHEMBL4749270 0.85 KIF11 (0.35) MGLLESR1ESR2KIF11GAA
SCHEMBL4749258 0.85 KIF11 (0.35) MGLLESR1ESR2KIF11GAA
SCHEMBL4338035 0.82 KDM2B (0.41) MGLLESR1ESR2MEN1KMT2A
SCHEMBL4026114 0.82 KDM2B (0.41) MGLLESR1ESR2MEN1KMT2A
SCHEMBL4338025 0.82 KDM2B (0.41) MGLLESR1ESR2MEN1KMT2A
SCHEMBL4020327 0.82 CPS1 (0.39) MGLLMEN1KMT2ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed