SCHEMBL8636830

SCHEMBL8636830

O=C(O)C(Cc1ccc(OCCC2CCN(c3ccncc3)CC2)cc1)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.62
ITGA2B P08514 17/20 0.62
ITGAV P06756 4/20 0.47
CHRM2 P08172 1/20 0.47
SLC6A4 P31645 1/20 0.47
ITGB1 P05556 2/20 0.45
ITGA5 P08648 2/20 0.45
ITGB5 P18084 2/20 0.45
YAP1 P46937 1/20 0.44
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
F2 P00734 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
SCHEMBL8603925 0.93 ITGB3 (0.54) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8640149 0.89 ITGB3 (0.60) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8603766 0.87 ITGB3 (0.64) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7404574 0.85 ITGB3 (0.64) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7400369 0.84 ITGB3 (0.67) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7398960 0.83 ITGB3 (0.71) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7395043 0.83 ITGB3 (0.53) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8604947 0.82 ITGB3 (0.51) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8604265 0.81 ITGB3 (0.56) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7401785 0.80 ITGB3 (0.55) ITGB3ITGA2BITGAVYAP1

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 4 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
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