SCHEMBL7332909

SCHEMBL7332909

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.47
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 1/20 0.46
HRH3 Q9Y5N1 3/20 0.45
HRH1 P35367 1/20 0.45
CCR3 P51677 1/20 0.45
KCNH2 Q12809 1/20 0.45
F10 P00742 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
SCHEMBL7399643 0.87 HRH1 (0.57) ACACBITGB3ITGA2BHRH3HRH1
SCHEMBL7405501 0.86 F10 (0.49) ACACBMAPTPOLBGAAMAPK1
SCHEMBL7394932 0.84 HRH3 (0.47) MAPTPOLBGAAMAPK1ITGB3
SCHEMBL7400448 0.82 F10 (0.52) MAPTPOLBGAAMAPK1ITGB3
SCHEMBL7399758 0.82 F10 (0.63) POLBGAAMAPK1F10
SCHEMBL7394056 0.77 TRPV1 (0.62) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL7398918 0.77 POLB (0.60) POLBHRH3HRH1
SCHEMBL7335436 0.77 HRH3 (0.59) MAPTPOLBITGB3ITGA2BALDH1A1
SCHEMBL5632393 0.77 NAMPT (0.56) ACACBHRH3F10
SCHEMBL7394882 0.76 HRH3 (0.49) MAPTGAAITGB3ITGA2BALDH1A1

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