SCHEMBL4155113

SCHEMBL4155113

O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.68
MAOA P21397 7/20 0.68
RCOR1 Q9UKL0 3/20 0.68
KDM1B Q8NB78 1/20 0.68
MAOB P27338 2/20 0.67
F2 P00734 3/20 0.66
PRSS1 P07477 3/20 0.66
PRSS2 P07478 3/20 0.66
PRSS3 P35030 3/20 0.66
HDAC8 Q9BY41 2/20 0.64
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

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 0.91 HDAC8 (0.73) KDM1AMAOARCOR1KDM1BMAOB
SCHEMBL18444606 0.88 KDM1A (0.68) KDM1AMAOARCOR1KDM1BMAOB
SCHEMBL4156354 0.87 HDAC8 (0.60) KDM1AMAOARCOR1KDM1BMAOB
SCHEMBL22034624 0.87 SIRT5 (0.61) KDM1AMAOARCOR1KDM1BMAOB
SCHEMBL22034622 0.87 SIRT5 (0.61) KDM1AMAOARCOR1KDM1BMAOB
SCHEMBL4154649 0.86 HDAC8 (0.80) KDM1AMAOARCOR1KDM1BMAOB
SCHEMBL10724242 0.85 TACR1 (0.61) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10724879 0.85 TACR1 (0.61) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10724240 0.85 TACR1 (0.61) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10724885 0.85 TACR1 (0.61) 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