SCHEMBL7400975

SCHEMBL7400975

O=C(O)CCN(Cc1ccccc1)C(=O)c1ccc(N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL7329220 0.90 SLC2A1 (0.45) HDAC1HDAC6HRH3OPRD1
SCHEMBL7400977 0.90 PLOD2 (0.47)
SCHEMBL27446148 0.81 OPRD1 (0.44) ITGB3ITGA2BUSP2LMNAMAPT
SCHEMBL8637900 0.76 OPRD1 (0.42) LMNASMN1; SMN2HRH3OPRD1
SCHEMBL8637905 0.73 ITGB3 (0.43) ITGB3ITGA2BLMNASMN1; SMN2HRH3
SCHEMBL7364305 0.73 CETP (0.46) ITGB3ITGA2B
SCHEMBL3054586 0.73 RCE1 (0.60)
SCHEMBL7402710 0.73 DRD2 (0.59) ITGB3ITGA2B
SCHEMBL7961639 0.72 SMN1; SMN2 (0.70) USP2LMNAMAPTMAPK1HTT
SCHEMBL8637894 0.71 HRH3 (0.40) LMNAMAPTMAPK1SMN1; SMN2HRH3

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 6 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-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US 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