SCHEMBL4154299

SCHEMBL4154299

N#Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.67
CTSL P07711 1/20 0.66
CTSB P07858 1/20 0.66
CTSS P25774 1/20 0.66
CTSK P43235 1/20 0.66
KDM1A O60341 9/20 0.64
MAOA P21397 7/20 0.64
RCOR1 Q9UKL0 3/20 0.64
KDM1B Q8NB78 1/20 0.64
MAOB P27338 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
F2 P00734 3/20 0.62
PRSS1 P07477 3/20 0.62
PRSS2 P07478 3/20 0.62
PRSS3 P35030 3/20 0.62

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
SCHEMBL7513034 0.89 CTSL (0.53) TACR1CTSLCTSBCTSSCTSK
SCHEMBL4163972 0.88 TACR1 (0.64) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7370634 0.88 HDAC8 (0.73) TACR1CTSLCTSBCTSSCTSK
SCHEMBL8438830 0.86 TACR1 (0.66) TACR1CTSLCTSBCTSSCTSK
SCHEMBL8234111 0.86 TACR1 (0.66) TACR1CTSLCTSBCTSSCTSK
SCHEMBL18920606 0.86 TACR1 (0.66) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7523385 0.85 SIRT2 (0.55) TACR1CTSLCTSBCTSSCTSK
SCHEMBL4155113 0.85 KDM1A (0.68) TACR1CTSLCTSBCTSSCTSK
SCHEMBL18444606 0.85 KDM1A (0.68) TACR1CTSLCTSBCTSSCTSK
SCHEMBL2999836 0.84 CTSS (0.69) CTSLCTSBCTSSCTSKHDAC8

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 1 patent. 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