SCHEMBL7329226

SCHEMBL7329226

COC(=O)C(C)N(Cc1ccccc1)C(=O)c1cccc(N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.46
PLOD3 O60568 2/20 0.46
PLOD1 Q02809 2/20 0.46
AOC3 Q16853 2/20 0.46
GFER P55789 2/20 0.45
POLB P06746 1/20 0.45
HTR2C P28335 1/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
ROCK2 O75116 1/20 0.41
KHK P50053 1/20 0.40
F10 P00742 2/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 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 0.82 AOC3 (0.46) PLOD2PLOD3PLOD1AOC3HTR2C
SCHEMBL7400977 0.77 PLOD2 (0.47) PLOD2PLOD3PLOD1AOC3HTR1A
SCHEMBL7329223 0.76 KHK (0.44) PLOD2PLOD3PLOD1AOC3HTR1A
SCHEMBL7501506 0.74 PLOD2 (0.51) PLOD2PLOD3PLOD1AOC3ROCK2
SCHEMBL8637905 0.72 ITGB3 (0.43) AOC3F10F2PRSS1ITGB3
SCHEMBL7400980 0.72 HRH3 (0.44) HTR1ADRD2MAPT
SCHEMBL5863311 0.71 HTR2C (0.47) HTR2CHTR1ADRD2
SCHEMBL7402715 0.70 PLOD2 (0.53) PLOD2PLOD3PLOD1ROCK2F10
SCHEMBL7329220 0.69 SLC2A1 (0.45)
SCHEMBL8637900 0.69 OPRD1 (0.42) AOC3F10F2PRSS1

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