SCHEMBL471249

SCHEMBL471249

O=C1CC2(CCNC2)Oc2ccc(O)cc21

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.61
HDAC4 P56524 11/20 0.61
HDAC1 Q13547 11/20 0.61
HDAC7 Q8WUI4 11/20 0.61
HDAC2 Q92769 11/20 0.61
HDAC10 Q969S8 11/20 0.61
HDAC11 Q96DB2 11/20 0.61
HDAC8 Q9BY41 11/20 0.61
HDAC6 Q9UBN7 11/20 0.61
HDAC9 Q9UKV0 11/20 0.61
HDAC5 Q9UQL6 11/20 0.61
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 3/20 0.47
ATM Q13315 2/20 0.46
HTT P42858 1/20 0.46
AKT1 P31749 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL471516 0.87 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23957106 0.84 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL619914 0.81 KDM4E (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11111608 0.81 KDM4E (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30884498 0.80 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4782352 0.80 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9444261 0.80 KDM4E (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1547088 0.79 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1547065 0.79 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL3231898 0.79 HDAC3 (0.53) 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