SCHEMBL7329707

SCHEMBL7329707

COC(=O)C(C)(C)Oc1ccc(C(=O)CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HRH3 Q9Y5N1 8/20 0.52
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
GAA P10253 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
HRH1 P35367 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL7397664 0.89 ITGB3 (0.57) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL7335436 0.81 HRH3 (0.59) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL8891426 0.80 HRH3 (0.57) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL7400645 0.78 MEN1 (0.52) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL7403746 0.78 HRH3 (0.53) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL7398284 0.77 HRH3 (0.58) MEN1KMT2AHRH3ALDH1A1LMNA
SCHEMBL7327928 0.77 HRH3 (0.59) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL7400470 0.76 HRH3 (0.54) MEN1KMT2AHRH3ALDH1A1ITGB3
SCHEMBL9080516 0.76 MEN1 (0.50) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL7402652 0.76 HRH3 (0.53) MEN1KMT2AHRH3ALDH1A1KDM4E

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