SCHEMBL7333641

SCHEMBL7333641

COC(=O)COc1ccc(C(=O)CN2CCN(c3ccncc3)CC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.47
KCNH2 Q12809 1/20 0.46
MAPT P10636 2/20 0.42
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH1 P35367 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL7400454 0.90 HRH3 (0.48) HRH3KCNH2MAPTITGB3ITGA2B
SCHEMBL7335413 0.89 ITGB3 (0.52) HRH3KCNH2ITGB3ITGA2BHRH1
Hydrochloric Acid SCHEMBL7399509 0.88 ITGB3 (0.51) HRH3KCNH2ITGB3ITGA2BHRH1
SCHEMBL8602874 0.85 ITGB3 (0.44) HRH3KCNH2MAPTITGB3ITGA2B
SCHEMBL7335436 0.84 HRH3 (0.59) HRH3MAPTITGB3ITGA2BALDH1A1
SCHEMBL8639763 0.80 ITGB3 (0.43) HRH3KCNH2ITGB3ITGA2BALDH1A1
SCHEMBL7406284 0.78 MEN1 (0.63) HRH3ALDH1A1LMNAHRH1MEN1
SCHEMBL8630370 0.78 KCNH2 (0.46) HRH3KCNH2ITGB3ITGA2BALDH1A1
Hydrochloric Acid SCHEMBL8838110 0.78 KMT2A (0.61) HRH3MAPTALDH1A1LMNAHRH1
SCHEMBL7400448 0.76 F10 (0.52) HRH3MAPTITGB3ITGA2BALDH1A1

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 10 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 claimed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP claimed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO claimed
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-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