SCHEMBL7400470

SCHEMBL7400470

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH1 P35367 1/20 0.46
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7401601 0.89 HRH3 (0.60) HRH3MEN1KMT2AHRH1ALDH1A1
SCHEMBL7335436 0.86 HRH3 (0.59) HRH3MEN1KMT2AHRH1ITGB3
SCHEMBL7327928 0.83 HRH3 (0.59) HRH3MEN1KMT2AHRH1ITGB3
SCHEMBL7399638 0.82 HRH3 (0.58) HRH3MEN1KMT2AHRH1ITGB3
SCHEMBL7398284 0.81 HRH3 (0.58) HRH3MEN1KMT2AHRH1ITGB3
SCHEMBL7403746 0.81 HRH3 (0.53) HRH3MEN1KMT2AHRH1ITGB3
SCHEMBL7397664 0.78 ITGB3 (0.57) HRH3MEN1KMT2AHRH1ITGB3
SCHEMBL8891426 0.77 HRH3 (0.57) HRH3MEN1KMT2AHRH1POLB
SCHEMBL7546222 0.77 HRH3 (0.55) HRH3MEN1KMT2AHRH1ALDH1A1
SCHEMBL7329707 0.76 MEN1 (0.54) HRH3MEN1KMT2AHRH1ITGB3

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 8 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
CN-1120334-A Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LTD (GB) 1996-04-10 CN 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