SCHEMBL7435906

SCHEMBL7435906

CCOC(=O)C(c1cccc2ccccc12)N1CCC(N2CCN(c3ccc(C(N)=NO)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
ALOX15 P16050 1/20 0.42
CASR P41180 8/20 0.39
AOC3 Q16853 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7435901 1.00 KDM4E (0.42) KDM4EITGB3ITGA2BALDH1A1MEN1
SCHEMBL7450266 0.91 ITGB3 (0.52) KDM4EITGB3ITGA2BALDH1A1MEN1
SCHEMBL7435192 0.81 KDM4E (0.48) KDM4EITGB3ITGA2BALDH1A1ALOX15
SCHEMBL7435197 0.81 KDM4E (0.48) KDM4EITGB3ITGA2BALDH1A1ALOX15
SCHEMBL7445145 0.79 NPY2R (0.42) KDM4EITGB3ITGA2BALDH1A1MEN1
SCHEMBL7449640 0.79 ITGB3 (0.57) KDM4EITGB3ITGA2BALDH1A1MEN1
SCHEMBL7444753 0.79 KDM4E (0.40) KDM4EITGB3ITGA2BALDH1A1MEN1
SCHEMBL7440788 0.78 HPGD (0.39) ITGB3ITGA2BMEN1KMT2AALOX15
SCHEMBL7440797 0.78 HPGD (0.39) ITGB3ITGA2BMEN1KMT2AALOX15
SCHEMBL7441230 0.78 KDM4E (0.45) KDM4EITGB3ITGA2BALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP claimed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO claimed
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed