SCHEMBL7399545

SCHEMBL7399545

O=C(O)CCNC(=O)CCCN1CCN(c2ccncc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.51
SLC6A4 P31645 1/20 0.51
ITGB3 P05106 3/20 0.50
ITGA2B P08514 3/20 0.50
DRD2 P14416 3/20 0.50
DRD3 P35462 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
CACNA1G O43497 2/20 0.49
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1A P08908 1/20 0.48

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
SCHEMBL7402389 0.96 DRD4 (0.53) DRD4SLC6A4ITGB3ITGA2BDRD2
SCHEMBL9080272 0.87 HRH3 (0.51) DRD2HRH3CACNA1GHTR2AHTR2C
SCHEMBL8635007 0.87 DRD4 (0.60) DRD4SLC6A4ITGB3ITGA2BHRH3
Hydrochloric Acid SCHEMBL27454125 0.86 DRD4 (0.58) DRD4SLC6A4ITGB3ITGA2BHRH3
SCHEMBL7397112 0.84 HTR1A (0.54) DRD4SLC6A4DRD2HRH3HTR1A
Hydrochloric Acid SCHEMBL9023742 0.82 DRD4 (0.60) DRD4SLC6A4ITGB3ITGA2BHRH3
SCHEMBL8837987 0.81 ITGB3 (0.63) DRD4SLC6A4ITGB3ITGA2BDRD2
SCHEMBL7402710 0.77 DRD2 (0.59) ITGB3ITGA2BDRD2
SCHEMBL11436565 0.76 LMNA (0.65) DRD4DRD2DRD3HTR2AHTR1A
Bicarbonate SCHEMBL9023141 0.76 DRD2 (0.48) DRD4SLC6A4DRD2DRD3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 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