SCHEMBL471516

SCHEMBL471516

O=C1CC2(CCCNCC2)Oc2ccc(O)cc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.63
HDAC4 P56524 9/20 0.63
HDAC1 Q13547 9/20 0.63
HDAC7 Q8WUI4 9/20 0.63
HDAC2 Q92769 9/20 0.63
HDAC10 Q969S8 9/20 0.63
HDAC11 Q96DB2 9/20 0.63
HDAC8 Q9BY41 9/20 0.63
HDAC6 Q9UBN7 9/20 0.63
HDAC9 Q9UKV0 9/20 0.63
HDAC5 Q9UQL6 9/20 0.63
KDM4E B2RXH2 4/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.53
ATM Q13315 3/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
AKT1 P31749 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL619914 0.88 KDM4E (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11111608 0.88 KDM4E (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL471249 0.87 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9444261 0.86 KDM4E (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12030815 0.85 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1268666 0.81 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13339837 0.81 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1547353 0.80 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL3491381 0.80 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL309162 0.80 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2399577-A1 Use of N-containing spirocompounds for the enhancement of cognitive function Adolor Corporation (US) 2011-12-28 EP disclosed
WO-2008033299-A2 USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION ADOLOR CORPORATION (US) 2008-03-20 WO disclosed