SCHEMBL7399713

SCHEMBL7399713

CCCCC(=O)NC(Cc1ccc(OCCC2CCN(c3ccncc3)CC2)cc1)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.54
ITGA2B P08514 8/20 0.54
YAP1 P46937 9/20 0.45

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
SCHEMBL7401596 0.93 ITGB3 (0.64) ITGB3ITGA2BYAP1
SCHEMBL7398105 0.92 ACACB (0.49) ITGB3ITGA2BYAP1
SCHEMBL8604265 0.85 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL7326482 0.85 YAP1 (0.55) ITGB3ITGA2BYAP1
SCHEMBL8604947 0.83 ITGB3 (0.51) ITGB3ITGA2BYAP1
SCHEMBL7401785 0.83 ITGB3 (0.55) ITGB3ITGA2BYAP1
SCHEMBL8603352 0.82 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7325318 0.82 ACACB (0.46) ITGB3ITGA2B
SCHEMBL7404620 0.82 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL7398984 0.81 ITGB3 (0.61) ITGB3ITGA2BYAP1

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 7 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-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