SCHEMBL7327928

SCHEMBL7327928

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.59
ITGB3 P05106 4/20 0.56
ITGA2B P08514 4/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HRH1 P35367 3/20 0.53
POLB P06746 1/20 0.52
HRH2 P25021 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7399638 0.89 HRH3 (0.58) HRH3ITGB3ITGA2BMEN1KMT2A
SCHEMBL9080607 0.89 ITGB3 (0.49) HRH3ITGB3ITGA2BMEN1KMT2A
SCHEMBL7397816 0.88 HRH3 (0.63) HRH3ITGB3ITGA2BMEN1KMT2A
SCHEMBL7335436 0.87 HRH3 (0.59) HRH3ITGB3ITGA2BMEN1KMT2A
SCHEMBL7398284 0.86 HRH3 (0.58) HRH3ITGB3ITGA2BMEN1KMT2A
SCHEMBL7403960 0.86 ITGB3 (0.59) HRH3ITGB3ITGA2BHRH1POLB
SCHEMBL8605546 0.85 MEN1 (0.48) HRH3ITGB3ITGA2BMEN1KMT2A
SCHEMBL7401601 0.85 HRH3 (0.60) HRH3MEN1KMT2AHRH1KDM4E
SCHEMBL7397082 0.85 LOXL2 (0.45) HRH3ITGB3ITGA2BMEN1KMT2A
SCHEMBL7407224 0.85 ALDH1A1 (0.53) HRH3ITGB3ITGA2BMEN1KMT2A

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