SCHEMBL8615087

SCHEMBL8615087

CCCC1C(Nc2ccncc2)CCCN1C1CCC(CC(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD11B1 P28845 5/20 0.33
FFAR4 Q5NUL3 3/20 0.32
DGAT1 O75907 1/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL8301327 0.72 KDM4E (0.43) ITGB3ITGA2BKDM4EKMT2AMEN1
SCHEMBL8615084 0.71 ITGB3 (0.37) ITGB3ITGA2BKDM4EKMT2AMEN1
SCHEMBL8305196 0.67 CCR2 (0.36) ITGB3ITGA2BKDM4EKMT2AMEN1
SCHEMBL8300331 0.67 KDM4E (0.43) ITGB3ITGA2BKDM4EKMT2AMEN1
SCHEMBL8298652 0.67 ITGB3 (0.45) ITGB3ITGA2BKDM4EKMT2AMEN1
SCHEMBL8300030 0.66 KDM4E (0.45) ITGB3ITGA2BKDM4EKMT2AMEN1
SCHEMBL8302338 0.65 ITGB3 (0.42) ITGB3ITGA2BALDH1A1FFAR4DGAT1
SCHEMBL8300686 0.65 NAMPT (0.43) ITGB3ITGA2BKDM4EKMT2AMEN1
SCHEMBL8300507 0.65 KDM4E (0.43) ITGB3ITGA2BKDM4EKMT2AMEN1
SCHEMBL8304879 0.64 KDM4E (0.42) ITGB3ITGA2BKDM4EKMT2AMEN1

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
US-5786371-A INHIBIT AGGREGATION OF BLOOD PLATELETS BOEHRINGER MANNHEIM GMBH (DE) 1998-07-28 US disclosed