SCHEMBL7398259

SCHEMBL7398259

COC(=O)COc1ccc(C(=O)C(C)N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
HRH3 Q9Y5N1 8/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
HRH1 P35367 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ROCK2 O75116 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 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
Hydrochloric Acid SCHEMBL7395167 0.88 ITGB3 (0.56) ITGB3ITGA2BHRH3ALDH1A1GAA
SCHEMBL7396290 0.86 HRH3 (0.53) ITGB3ITGA2BHRH3MAPTALDH1A1
SCHEMBL7335436 0.81 HRH3 (0.59) ITGB3ITGA2BHRH3MAPTALDH1A1
SCHEMBL7394882 0.80 HRH3 (0.49) ITGB3ITGA2BHRH3MAPTALDH1A1
SCHEMBL7406284 0.79 MEN1 (0.63) HRH3ALDH1A1HRH1LMNA
SCHEMBL7394056 0.78 TRPV1 (0.62) MAPTALDH1A1GAALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL8838110 0.78 KMT2A (0.61) HRH3MAPTALDH1A1HRH1LMNA
SCHEMBL8634854 0.77 ITGB3 (0.51) ITGB3ITGA2BHRH3MAPTALDH1A1
SCHEMBL7400448 0.77 F10 (0.52) ITGB3ITGA2BHRH3MAPTALDH1A1
SCHEMBL7398918 0.76 POLB (0.60) HRH3HRH1

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