SCHEMBL7399703

SCHEMBL7399703

CCOC(=O)/C=C/COc1ccc(N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
HRH3 Q9Y5N1 10/20 0.47
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HRH1 P35367 2/20 0.42
RAB9A P51151 1/20 0.41
HRH2 P25021 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
F10 P00742 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
SCHEMBL7399702 0.84 SMN1; SMN2 (0.54) ALDH1A1MAPTKDM4ELMNARAB9A
SCHEMBL7334450 0.76 HRH3 (0.57) ITGB3ITGA2BHRH3MAPTHRH1
SCHEMBL8889829 0.75 HRH3 (0.58) ITGB3ITGA2BHRH3MAPTHRH1
SCHEMBL7399704 0.74 ALDH1A1 (0.49) ITGB3ITGA2BHRH3GAAALDH1A1
SCHEMBL8888693 0.74 ITGB3 (0.75) ITGB3ITGA2BHRH3GAAALDH1A1
SCHEMBL7958507 0.73 HPGD (0.55) HRH3GAAALDH1A1MAPTKDM4E
SCHEMBL7329611 0.73 METAP1 (0.52) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL7398343 0.72 ITGB3 (0.54) ITGB3ITGA2BHRH3GAAALDH1A1
SCHEMBL7334455 0.72 ITGB3 (0.51) ITGB3ITGA2BHRH3GAAALDH1A1
SCHEMBL7401601 0.69 HRH3 (0.60) HRH3ALDH1A1KDM4ELMNAHRH1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9095483-A None JP disclosed
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
JP-H0995483-A (11E)-5-AMINO-11-ETHYLYDENE-5,6,9,10-TETRAHYDRO-7METHYL-5,9-METHANOCYCLOOCTA(B)PYRIDIN2(1H)-ONE DERIVATIVE AND ITS PRODUCING INTERMEDIATE SAGAMI CHEM RES CENTER 1997-04-08 JP 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