SCHEMBL7329223

SCHEMBL7329223

CCCC(=O)ON(Cc1ccccc1)C(=O)c1cccc(N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KHK P50053 5/20 0.44
PLOD2 O00469 2/20 0.44
PLOD3 O60568 2/20 0.44
PLOD1 Q02809 2/20 0.44
AOC3 Q16853 2/20 0.43
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8701561 0.86 AOC3 (0.46) KHKPLOD2PLOD3PLOD1AOC3
SCHEMBL7400977 0.77 PLOD2 (0.47) PLOD2PLOD3PLOD1AOC3ACACB
SCHEMBL7329226 0.76 PLOD2 (0.46) KHKPLOD2PLOD3PLOD1AOC3
SCHEMBL27443430 0.73 AOC3 (0.48) KHKPLOD2PLOD3PLOD1AOC3
SCHEMBL7329220 0.71 SLC2A1 (0.45) HRH3
SCHEMBL7400975 0.69 HDAC1 (0.44) HRH3MAPTHTT
SCHEMBL7364305 0.68 CETP (0.46) HTR1ADRD2
SCHEMBL8635347 0.68 ITGB3 (0.44) KHKAOC3HRH3HTR1AGAA
SCHEMBL7501496 0.68 PLOD2 (0.56) PLOD2PLOD3PLOD1DRD2MAPT
SCHEMBL8635008 0.67 ITGB3 (0.44) HRH3GAAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed