SCHEMBL4472587

SCHEMBL4472587

CC(C)(CCCCNCc1ccccc1)C(C)(C)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.59
CHRM2 P08172 1/20 0.58
SIGMAR1 Q99720 4/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MPO P05164 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
NCOR2 Q9Y618 2/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MITF O75030 1/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL5606119 0.81 MAOA (0.71) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL16714770 0.79 MAOA (0.61) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL4932707 0.78 MAOA (0.95) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL18559852 0.78 MAOA (0.51) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL12203842 0.78 MAOA (0.64) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL7202099 0.76 MAOA (1.00) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL4642587 0.76 MAOA (1.00) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL8851048 0.76 MAOA (1.00) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL16260102 0.76 MAOA (1.00) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL29361832 0.76 MAOA (1.00) MAOACHRM2SIGMAR1MEN1KMT2A

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
WO-2009095547-A2 METHOD FOR PREPARING A ZEOLITE OF THE ITH STRUCTURAL TYPE IFP (FR) 2009-08-06 WO claimed
WO-2009095547-A2 METHOD FOR PREPARING A ZEOLITE OF THE ITH STRUCTURAL TYPE IFP (FR) 2009-08-06 WO disclosed