SCHEMBL7399643

SCHEMBL7399643

O=C(O)COc1ccc(OC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.57
CCR3 P51677 2/20 0.57
KCNH2 Q12809 2/20 0.57
ITGB3 P05106 9/20 0.55
ITGA2B P08514 9/20 0.55
FFAR4 Q5NUL3 2/20 0.49
HRH3 Q9Y5N1 4/20 0.47
FFAR1 O14842 2/20 0.45
ACACB O00763 1/20 0.44

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
SCHEMBL7332909 0.87 ACACB (0.47) HRH1CCR3KCNH2ITGB3ITGA2B
SCHEMBL7398480 0.85 ITGB3 (0.53) HRH1CCR3KCNH2ITGB3ITGA2B
SCHEMBL8633873 0.83 ITGB3 (0.53) HRH1CCR3KCNH2ITGB3ITGA2B
SCHEMBL7399619 0.83 ITGB3 (0.51) HRH1CCR3KCNH2ITGB3ITGA2B
SCHEMBL7402069 0.80 ITGB3 (0.53) ITGB3ITGA2BHRH3
Hydrochloric Acid SCHEMBL7395390 0.80 ITGB3 (0.53) HRH1CCR3KCNH2ITGB3ITGA2B
SCHEMBL8601348 0.80 F10 (0.65)
SCHEMBL5632393 0.80 NAMPT (0.56) HRH3ACACB
SCHEMBL7961303 0.80 F10 (0.54) HRH1FFAR4HRH3ACACB
Hydrochloric Acid SCHEMBL7407623 0.79 ITGB3 (0.53) ITGB3ITGA2BHRH3

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