SCHEMBL7327708

SCHEMBL7327708

CCCc1cc(N2CCN(c3ccncc3)CC2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KHK P50053 3/20 0.43
CHKA P35790 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ACHE P22303 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
DHFR P00374 1/20 0.39
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39
PLD1 Q13393 1/20 0.39
ALOX5 P09917 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL5209994 0.82 PRKDC (0.51) HPGDALOX15ALDH1A1
SCHEMBL7335333 0.79 GABRA1 (0.47) KHKCHKAACHELMNAHPGD
SCHEMBL8630666 0.76 ITGB3 (0.42) KHKITGB3ITGA2BALOX15TSHR
SCHEMBL8888301 0.76 ITGB3 (0.45) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7335285 0.76 CHKA (0.47) KHKCHKAITGB3ITGA2BACHE
SCHEMBL7334978 0.70 CHKA (0.61) CHKALMNAADRB2NCF1PLD1
SCHEMBL12806550 0.70 MAPT (0.45) HPGDALOX15ALDH1A1
SCHEMBL17265645 0.70 GAA (0.53) LMNAALOX15DHFRALDH1A1DRD2
SCHEMBL28112415 0.70 CHKA (0.80) CHKALMNADHFRADRB2NCF1
SCHEMBL4557446 0.70 CYP19A1 (0.48) ALOX5

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 12 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
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