SCHEMBL16095652

SCHEMBL16095652

CC(C)(C)N1CCN(c2cc(O)ccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RAD52 P43351 1/20 0.41
UBE2N P61088 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRB1 P08588 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
PIK3CA P42336 3/20 0.38
IDH1 O75874 1/20 0.38
HTR3A P46098 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
SORD Q00796 1/20 0.37
PIK3CD O00329 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL27013486 0.83 GRIN2D (0.50) HRH4KDM4EADRB1MAPTPOLB
SCHEMBL16333432 0.82 HRH3 (0.42) HRH4KDM4ERAD52UBE2NL3MBTL1
SCHEMBL18591788 0.82 ADRB1 (0.48) HRH4KDM4EL3MBTL1ADRB1MAPT
SCHEMBL23916232 0.80 HRH4 (0.39) HRH4KDM4ERAD52UBE2NL3MBTL1
SCHEMBL27013483 0.77 LRRK2 (0.41) HRH4KDM4EMAPTPIK3CAHTR3A
SCHEMBL24422287 0.77 ME2 (0.52) KDM4EMAPT
SCHEMBL18591800 0.76 HRH4 (0.37) HRH4ADRB1PIK3CAHTR3A
SCHEMBL136881 0.76 PLD1 (0.56) KDM4EMAPTPOLB
SCHEMBL15228419 0.75 GPR119 (0.56) MAPTACHEPOLB
SCHEMBL247930 0.74 PIK3CA (0.64) KDM4EGAAPIK3CAPIK3CD

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-2970211-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 EP disclosed
WO-2014151106-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 WO disclosed