SCHEMBL13768441

SCHEMBL13768441

Nc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.61
MAOA P21397 7/20 0.61
RCOR1 Q9UKL0 3/20 0.61
KDM1B Q8NB78 1/20 0.61
HDAC8 Q9BY41 2/20 0.60
MAOB P27338 2/20 0.60
F2 P00734 3/20 0.59
PRSS1 P07477 3/20 0.59
PRSS2 P07478 3/20 0.59
PRSS3 P35030 3/20 0.59
TACR1 P25103 2/20 0.58
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
CTSS P25774 1/20 0.57
CTSK P43235 1/20 0.57

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
SCHEMBL7370634 0.88 HDAC8 (0.73) KDM1AMAOARCOR1KDM1BHDAC8
SCHEMBL4156354 0.86 HDAC8 (0.60) KDM1AMAOARCOR1KDM1BHDAC8
SCHEMBL3869317 0.84 HDAC8 (0.60) HDAC8CTSLCTSBCTSSCTSK
SCHEMBL13768102 0.84 LMNA (0.64) KDM1AMAOARCOR1KDM1BHDAC8
SCHEMBL4163972 0.84 TACR1 (0.64) KDM1AMAOARCOR1KDM1BHDAC8
SCHEMBL10709392 0.84 TACR1 (0.60) KDM1AMAOARCOR1KDM1BHDAC8
SCHEMBL3583048 0.83 MGLL (0.72)
SCHEMBL18444606 0.80 KDM1A (0.68) KDM1AMAOARCOR1KDM1BHDAC8
SCHEMBL4155113 0.80 KDM1A (0.68) KDM1AMAOARCOR1KDM1BHDAC8
SCHEMBL7038484 0.80 HDAC8 (0.78) KDM1AMAOARCOR1KDM1BHDAC8

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