SCHEMBL7398342

SCHEMBL7398342

C=CC(COc1ccccc1N1CCN(c2ccncc2)CC1)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
HTR1A P08908 2/20 0.41
HTR7 P34969 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ADRA1A P35348 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
HRH1 P35367 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7407497 0.89 SMN1; SMN2 (0.47) ITGB3ITGA2BSMN1; SMN2HTR1AHTR7
SCHEMBL9079714 0.84 ITGB3 (0.69) ITGB3ITGA2BHTR7HRH3GAA
SCHEMBL9275998 0.77 SMN1; SMN2 (0.53) ITGB3ITGA2BSMN1; SMN2HTR1AHTR7
SCHEMBL8634940 0.76 ITGB3 (0.51) ITGB3ITGA2BSMN1; SMN2HTR7HRH3
SCHEMBL8634780 0.76 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1HRH3MAPK1HIF1A
SCHEMBL7402988 0.76 SMN1; SMN2 (0.47) ITGB3ITGA2BSMN1; SMN2HTR1AHTR7
SCHEMBL7398335 0.74 SMN1; SMN2 (0.53) ITGB3ITGA2BSMN1; SMN2HTR1AHTR7
SCHEMBL7401158 0.73 SMN1; SMN2 (0.49) ITGB3ITGA2BSMN1; SMN2HTR1AHTR7
SCHEMBL7332630 0.72 ITGB3 (0.59) ITGB3ITGA2BSMN1; SMN2L3MBTL1HRH3
SCHEMBL7399702 0.69 SMN1; SMN2 (0.54) SMN1; SMN2HTR1AHTR7L3MBTL1MAPT

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 4 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
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