SCHEMBL7400448

SCHEMBL7400448

COC(=O)COc1ccc(C(=O)CC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.52
HRH3 Q9Y5N1 6/20 0.49
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43

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 SCHEMBL7395390 0.87 ITGB3 (0.53) F10HRH3ITGB3ITGA2B
SCHEMBL7405501 0.87 F10 (0.49) F10HRH3MAPTALDH1A1LMNA
SCHEMBL7394932 0.85 HRH3 (0.47) F10HRH3MAPTALDH1A1LMNA
SCHEMBL7335436 0.83 HRH3 (0.59) HRH3MAPTALDH1A1LMNAPOLB
SCHEMBL7332909 0.82 ACACB (0.47) F10HRH3MAPTALDH1A1LMNA
SCHEMBL7406284 0.81 MEN1 (0.63) HRH3ALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL8838110 0.80 KMT2A (0.61) HRH3MAPTALDH1A1LMNAPOLB
SCHEMBL7399758 0.79 F10 (0.63) F10POLBGAAMAPK1
SCHEMBL7394882 0.77 HRH3 (0.49) HRH3MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL7398259 0.77 ITGB3 (0.50) HRH3MAPTALDH1A1LMNASMN1; SMN2

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