SCHEMBL8206471

SCHEMBL8206471

NC(=O)CCC(=O)NCCC(Cl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.47
CNR2 P34972 4/20 0.45
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
EPHX2 P34913 1/20 0.42
HPGD P15428 1/20 0.41
HDAC3 O15379 4/20 0.40
HDAC4 P56524 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC7 Q8WUI4 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC10 Q969S8 4/20 0.40
HDAC11 Q96DB2 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC9 Q9UKV0 4/20 0.40
HDAC5 Q9UQL6 4/20 0.40

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
SCHEMBL6404252 0.81 CYP2D6 (0.46) LMNAPKM
SCHEMBL8685385 0.79 MTNR1A (0.51) CNR1CNR2MTNR1AMTNR1BEPHX2
SCHEMBL7823738 0.73 CNR1 (0.66) CNR1CNR2MTNR1AMTNR1BEPHX2
SCHEMBL29032349 0.73 L3MBTL1 (0.50) CNR1L3MBTL1LMNAEPHX2HDAC3
SCHEMBL2808337 0.73 L3MBTL1 (0.67) L3MBTL1LMNAHDAC3HDAC4HDAC1
SCHEMBL5468000 0.72 CNR1 (0.64) CNR1CNR2MTNR1AMTNR1BEPHX2
SCHEMBL7429828 0.72 HDAC3 (0.51) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11829934 0.72 MMP2 (0.50) LMNA
SCHEMBL7360866 0.71 L3MBTL1 (0.84) L3MBTL1LMNAPKMHPGDHDAC3
SCHEMBL28677199 0.71 L3MBTL1 (0.47) L3MBTL1LMNAHDAC3HDAC4HDAC1

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-0977600-A2 CONTRAST AGENTS NYCOMED IMAGING A/S (NO) 2000-02-09 EP disclosed
WO-1998047541-A1 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1998-10-29 WO disclosed