SCHEMBL7370634

SCHEMBL7370634

O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.73
KDM1A O60341 9/20 0.71
MAOA P21397 7/20 0.71
RCOR1 Q9UKL0 3/20 0.71
KDM1B Q8NB78 1/20 0.71
MAOB P27338 2/20 0.70
F2 P00734 3/20 0.69
PRSS1 P07477 3/20 0.69
PRSS2 P07478 3/20 0.69
PRSS3 P35030 3/20 0.69
TACR1 P25103 2/20 0.68
CTSL P07711 1/20 0.67
CTSB P07858 1/20 0.67
CTSS P25774 1/20 0.67
CTSK P43235 1/20 0.67

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
SCHEMBL4155113 0.91 KDM1A (0.68) HDAC8KDM1AMAOARCOR1KDM1B
SCHEMBL18444606 0.91 KDM1A (0.68) HDAC8KDM1AMAOARCOR1KDM1B
SCHEMBL7038484 0.91 HDAC8 (0.78) HDAC8KDM1AMAOARCOR1KDM1B
SCHEMBL4154649 0.89 HDAC8 (0.80) HDAC8KDM1AMAOARCOR1KDM1B
SCHEMBL13768439 0.89 HDAC8 (0.63) HDAC8KDM1AMAOARCOR1KDM1B
SCHEMBL4154299 0.88 TACR1 (0.67) HDAC8KDM1AMAOARCOR1KDM1B
SCHEMBL13768441 0.88 KDM1A (0.61) HDAC8KDM1AMAOARCOR1KDM1B
SCHEMBL4156354 0.88 HDAC8 (0.60) HDAC8KDM1AMAOARCOR1KDM1B
SCHEMBL7970027 0.88 TACR1 (0.70) HDAC8KDM1AMAOARCOR1KDM1B
SCHEMBL13768273 0.88 SIRT5 (0.62) HDAC8KDM1AMAOARCOR1KDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080631-A2 CHEMO-ENZYMATIC SYNTHESIS OF A C-TERMINAL ARYL AMIDE OF AN AMINO ACID OR PEPTIDE DSM IP ASSETS BV (NL) 2009-07-02 WO disclosed
EP-0822186-B1 L-tert-leucine-2-pyridylamide BRITISH BIOTECH PHARM (GB) 2000-03-15 EP disclosed
CN-1049651-C Metalloproteinase inhibitors BRITISH BIOTECH PHARM (GB) 2000-02-23 CN disclosed
EP-0740652-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1998-05-06 EP disclosed
EP-0822186-A2 L-tert-leucine-2-pyridylamide BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-02-04 EP disclosed
CN-1138851-A Metalloproteinase inhibitors BRITISH BIOTECH PHARM (GB) 1996-12-25 CN disclosed
EP-0740652-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP disclosed
WO-1995019956-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO disclosed