SCHEMBL9201642

SCHEMBL9201642

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
ACHE P22303 1/20 0.54
GAA P10253 1/20 0.51
FAAH O00519 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
BLM P54132 1/20 0.49
NAMPT P43490 1/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL8544211 0.87 ACHE (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11654329 0.83 ACHE (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10274485 0.82 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL543404 0.82 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7282881 0.81 SMN1; SMN2 (0.60) ACHEFAAHL3MBTL1KMT2AMEN1
SCHEMBL8616520 0.81 L3MBTL1 (0.65) FAAHL3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL6973124 0.81 GAA (0.73) GAAKDM4EKMT2AALDH1A1MEN1
SCHEMBL1721027 0.81 MAPT (0.43) GAAL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL13181087 0.80 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9411219 0.80 HDAC3 (0.64) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487071-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-07-05 EP disclosed
US-5273974-A Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-28 US disclosed
EP-0487071-A1 Condensed heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-27 EP disclosed
US-4665076-A ANTIARRHYTHMIA AGENTS RHONE-POULENC SANTE (FR) 1987-05-12 US disclosed
US-4613607-A ANTIARRYTHMIA AGENTS PHARMUKA LABORATOIRES (FR) 1986-09-23 US disclosed