SCHEMBL6438579

SCHEMBL6438579

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

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.59
CNR2 P34972 5/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
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
CTSD P07339 1/20 0.53
POLB P06746 2/20 0.52

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
SCHEMBL9752359 0.84 NAAA (0.58)
SCHEMBL9752360 0.84 NAAA (0.58)
SCHEMBL4202619 0.82 GLS (0.43) CTSD
SCHEMBL20490805 0.82 GLS (0.43) CTSD
SCHEMBL6431855 0.82 CNR1 (0.63) CNR1CNR2
SCHEMBL6432512 0.81 MEN1 (0.68) CNR1CNR2MEN1KMT2AHDAC3
Hydrochloric Acid SCHEMBL21995191 0.81 GLS (0.43) CTSD
Hydrochloric Acid SCHEMBL21995188 0.81 GLS (0.43) CTSD
SCHEMBL21995298 0.80 CTSS (0.50) MEN1KMT2A
SCHEMBL19471121 0.80 CTSS (0.50) MEN1KMT2A

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-1224163-B1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
CN-1184964-C Use of carbonylamino derivatives against CNS disorders HOFFMANN LA ROCHE (CH) 2005-01-19 CN 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