SCHEMBL4171055

SCHEMBL4171055

O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1F)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.61
CTSL P07711 1/20 0.60
CTSB P07858 1/20 0.60
CTSS P25774 1/20 0.60
CTSK P43235 1/20 0.60
KDM1A O60341 9/20 0.56
MAOA P21397 7/20 0.56
RCOR1 Q9UKL0 3/20 0.56
KDM1B Q8NB78 1/20 0.56
MAOB P27338 2/20 0.55
HDAC8 Q9BY41 1/20 0.55

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
SCHEMBL22034410 0.87 SIRT5 (0.57) HDAC8
SCHEMBL22034407 0.87 SIRT5 (0.57) HDAC8
SCHEMBL13768104 0.83 CTSL (0.61) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7370634 0.83 HDAC8 (0.73) TACR1CTSLCTSBCTSSCTSK
SCHEMBL4155113 0.83 KDM1A (0.68) TACR1CTSLCTSBCTSSCTSK
SCHEMBL4157711 0.82 TACR1 (0.67) TACR1CTSLCTSBCTSSCTSK
SCHEMBL16999810 0.81 CTSL (0.57) CTSLCTSBCTSSCTSK
SCHEMBL29360909 0.81 SIRT5 (0.47) CTSLCTSBCTSSCTSKHDAC8
SCHEMBL4156354 0.80 HDAC8 (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL12052836 0.79 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK

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
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
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