SCHEMBL8528680

SCHEMBL8528680

COC(=O)Cc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=N)N)C(N)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
EPOR P19235 1/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.33
TLR7 Q9NYK1 2/20 0.33
NPY1R P25929 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL8528518 0.91 REN (0.33) TDP1HDAC1HDAC7KMT2AMEN1
SCHEMBL8529309 0.91 CNR1 (0.36) TDP1KMT2AMEN1ITGB3ITGA2B
SCHEMBL7039838 0.91 TDP1 (0.36) TDP1KMT2AMEN1ITGB3ITGA2B
SCHEMBL7039868 0.90 ITGB3 (0.33) TDP1HDAC1HDAC7KMT2AMEN1
SCHEMBL6901612 0.90 CNR1 (0.43) TDP1HDAC1HDAC7KMT2AITGB3
SCHEMBL30905434 0.89 CNR1 (0.41) TDP1KMT2AMEN1F10PRSS1
SCHEMBL1389118 0.89 CNR1 (0.41) TDP1KMT2AMEN1F10PRSS1
SCHEMBL8121296 0.89 F2 (0.38) TDP1KMT2AMEN1ITGB3ITGA2B
SCHEMBL7750689 0.89 MEN1 (0.42) TDP1KMT2AMEN1ITGB3ITGA2B
SCHEMBL4651831 0.88 CNR1 (0.42) TDP1KMT2AMEN1EPORCNR1

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
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed