SCHEMBL3662341

SCHEMBL3662341

C#CCC1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.58
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
EPHX1 P07099 1/20 0.54
L3MBTL3 Q96JM7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MGLL Q99685 1/20 0.52
HSD11B1 P28845 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HPGD P15428 1/20 0.51

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
SCHEMBL7364546 0.81 HDAC3 (0.64) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL3459209 0.81 ACHE (0.65) ACHEHDAC3HDAC4HDAC1HDAC7
Benzene SCHEMBL27746310 0.80 CYP2C9 (0.37) L3MBTL1MEN1KMT2A
SCHEMBL543404 0.80 HDAC3 (0.67) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL10762328 0.80 ACHE (0.63) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL6158231 0.80 ACHE (0.63) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL5179706 0.80 ACHE (0.63) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL2618044 0.80 ACHE (0.68) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL3662252 0.80 ACHE (0.63) ACHEEPHX1L3MBTL3L3MBTL1MGLL
SCHEMBL3458901 0.80 ACHE (0.63) ACHEHDAC3HDAC4HDAC1HDAC7

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-1487444-B9 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-07-21 EP claimed
EP-1487444-B1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2009-12-30 EP claimed