SCHEMBL7325318

SCHEMBL7325318

COC(=O)C(N)Cc1ccc(OCCC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.46
HRH3 Q9Y5N1 5/20 0.45
F10 P00742 9/20 0.44
PTGS2 P35354 1/20 0.43
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL8891308 0.95 HRH3 (0.46) HRH3F10PTGS2ITGB3ITGA2B
SCHEMBL7325270 0.94 HRH3 (0.47) HRH3F10PTGS2ITGB3ITGA2B
SCHEMBL7327020 0.90 ACACB (0.47) ACACBF10PTGS2ITGB3ITGA2B
SCHEMBL7327023 0.90 ACACB (0.47) ACACBF10PTGS2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7329132 0.89 F10 (0.47) ACACBF10PTGS2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7329134 0.89 F10 (0.47) ACACBF10PTGS2ITGB3ITGA2B
SCHEMBL7331516 0.85 HTR1A (0.47) ACACBHRH3PTGS2
SCHEMBL8604947 0.84 ITGB3 (0.51) ACACBF10ITGB3ITGA2B
SCHEMBL7399713 0.82 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7401785 0.81 ITGB3 (0.55) ITGB3ITGA2B

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