SCHEMBL6911524

SCHEMBL6911524

CCCN(CCC=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
RORC P51449 6/20 0.48
BCHE P06276 5/20 0.47
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CNR2 P34972 1/20 0.42
ACKR3 P25106 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL9271444 0.87 HDAC3 (0.45) RORCTSHRHDAC3HDAC1HDAC2
SCHEMBL330083 0.85 HRH3 (0.68) HRH3RORCBCHETSHRHSD17B10
SCHEMBL14385144 0.83 MAPT (0.60) HRH3RORCBCHE
Hydrochloric Acid SCHEMBL17710415 0.83 HRH3 (0.65) HRH3RORCBCHETSHRHSD17B10
Water SCHEMBL28117059 0.83 HRH3 (0.65) HRH3RORCBCHETSHRHSD17B10
SCHEMBL24765013 0.82 RORC (0.48) HRH3RORCBCHETSHRHSD17B10
SCHEMBL8240347 0.81 HRH3 (0.61) HRH3RORCBCHETSHRHSD17B10
Hydrochloric Acid SCHEMBL3183297 0.79 HRH3 (0.59) HRH3RORCBCHETSHRHSD17B10
SCHEMBL9485158 0.78 MAPT (0.61) HRH3RORCBCHETSHRHSD17B10
SCHEMBL11197923 0.78 HRH3 (0.59) HRH3RORCBCHETSHRHSD17B10

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
WO-2011046771-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2011-04-21 WO disclosed