SCHEMBL7399704

SCHEMBL7399704

CC=C(Oc1ccc(N2CCN(c3ccncc3)CC2)cc1)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
GAA P10253 3/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HRH3 Q9Y5N1 4/20 0.44
MAPT P10636 6/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2D6 P10635 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL7958507 0.75 HPGD (0.55) ALDH1A1GAAHRH3MAPTKDM4E
SCHEMBL7398343 0.74 ITGB3 (0.54) ALDH1A1GAAITGB3ITGA2BHRH3
SCHEMBL7334455 0.74 ITGB3 (0.51) ALDH1A1GAAITGB3ITGA2BHRH3
SCHEMBL7399703 0.74 ITGB3 (0.51) ALDH1A1GAAITGB3ITGA2BHRH3
SCHEMBL7334450 0.73 HRH3 (0.57) ITGB3ITGA2BHRH3MAPT
SCHEMBL2838311 0.72 MEN1 (0.53) ALDH1A1GAAMAPTKDM4ELMNA
SCHEMBL8889829 0.72 HRH3 (0.58) ITGB3ITGA2BHRH3MAPT
SCHEMBL8888693 0.71 ITGB3 (0.75) ALDH1A1GAAITGB3ITGA2BHRH3
SCHEMBL8890453 0.70 GAA (0.69) ALDH1A1GAAMAPTLMNAKMT2A
SCHEMBL8637103 0.69 ITGB3 (0.45) ALDH1A1GAAITGB3ITGA2BHRH3

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