SCHEMBL7334686

SCHEMBL7334686

OCCC1CCN(c2ccncc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
CHKA P35790 1/20 0.50
ADRB2 P07550 1/20 0.46
NCF1 P14598 1/20 0.46
PLD1 Q13393 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
LSS P48449 2/20 0.41
HRH3 Q9Y5N1 3/20 0.41
HRH4 Q9H3N8 1/20 0.41
F10 P00742 2/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
BDKRB1 P46663 2/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL7329597 0.90 CHKA (0.47) MAPTCHKAADRB2NCF1PLD1
SCHEMBL5177805 0.86 MAPT (0.44) MAPTCHKAADRB2NCF1PLD1
SCHEMBL1648623 0.86 CHKA (0.53) MAPTCHKAADRB2NCF1PLD1
SCHEMBL785766 0.83 CHKA (0.50) MAPTCHKAADRB2NCF1PLD1
SCHEMBL21101188 0.83 CHKA (0.50) MAPTCHKAADRB2NCF1PLD1
SCHEMBL4712975 0.83 CHKA (0.50) MAPTCHKAADRB2NCF1PLD1
SCHEMBL4702854 0.83 CHKA (0.50) MAPTCHKAADRB2NCF1PLD1
SCHEMBL4714567 0.83 CHKA (0.50) MAPTCHKAADRB2NCF1PLD1
SCHEMBL18155147 0.82 MBTD1 (0.49) MAPTDRD2DRD3HRH3
Hydrochloric Acid SCHEMBL2338735 0.81 CHKA (0.48) MAPTCHKAADRB2NCF1PLD1

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 13 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
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US 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
CN-1120334-A Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LTD (GB) 1996-04-10 CN 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