SCHEMBL6431487

SCHEMBL6431487

C=CCNC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.57
CNR2 P34972 4/20 0.57
POLB P06746 1/20 0.55
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
CTSD P07339 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL10692308 0.84 NAAA (0.53) POLBALDH1A1LMNAHPGDHTT
SCHEMBL10418937 0.83 HPGD (0.51) POLBALDH1A1LMNAHPGDHTT
SCHEMBL4207501 0.83 ERCC1 (0.51) POLBALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL23295869 0.78 HPGD (0.43) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL23295870 0.78 HPGD (0.43) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL20490411 0.77 HDAC4 (0.60) CNR1CNR2POLBHDAC3HDAC4
SCHEMBL10693607 0.77 ALDH1A1 (0.51) ALDH1A1LMNAHPGDHTTSMN1; SMN2
SCHEMBL6431868 0.76 MEN1 (0.52) CNR1CNR2POLBHDAC3HDAC4
SCHEMBL6431870 0.76 MEN1 (0.52) CNR1CNR2POLBHDAC3HDAC4
SCHEMBL9829411 0.76 CNR1 (0.62) CNR1CNR2POLBHDAC3HDAC4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224163-B1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
US-6548522-B1 N-substituted 2,2-diphenylacetamide or N-substituted 2-phenyl-2-pyridinylacetamide HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
EP-1224163-A1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001027070-A1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-19 WO disclosed