SCHEMBL27748909

SCHEMBL27748909

O=C(c1ccccc1)N1CCC(CCc2cccc(Br)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
L3MBTL3 Q96JM7 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
L3MBTL4 Q8NA19 1/20 0.51
MBTD1 Q05BQ5 2/20 0.50
HPGD P15428 1/20 0.50
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49

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
SCHEMBL15310435 0.81 L3MBTL3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15310277 0.80 L3MBTL3 (0.49) L3MBTL3L3MBTL1ALDH1A1TP53MBTD1
SCHEMBL25242855 0.79 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5861891 0.79 ALDH1A1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1532786 0.79 KDM4E (0.50)
SCHEMBL10722204 0.79 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10274485 0.77 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16502031 0.77 TAAR1 (0.55) L3MBTL3MBTD1
SCHEMBL10724420 0.77 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16385959 0.77 RAB9A (0.51) L3MBTL3L3MBTL1ALDH1A1TP53HPGD

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
CN-101360737-A 2-amino-5-piperidinylimidazolone compounds and their use for beta secretase modulation WYETH CORP (US) 2009-02-04 CN disclosed