SCHEMBL7401158

SCHEMBL7401158

CCOC(=O)CC(COc1ccccc1N1CCN(c2ccncc2)CC1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
METAP1 P53582 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADRA1B P35368 1/20 0.40

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
SCHEMBL8890358 0.88 ITGB3 (0.57) SMN1; SMN2HTR7ITGB3ITGA2BMETAP1
SCHEMBL7398335 0.85 SMN1; SMN2 (0.53) SMN1; SMN2HTR1AHTR7L3MBTL1ITGB3
SCHEMBL7403369 0.79 SMN1; SMN2 (0.50) SMN1; SMN2HTR1AHTR7L3MBTL1ITGB3
SCHEMBL7397024 0.79 SMN1; SMN2 (0.49) SMN1; SMN2HTR1AHTR7L3MBTL1ITGB3
SCHEMBL7334443 0.78 SMN1; SMN2 (0.56) SMN1; SMN2HTR1AHTR7L3MBTL1DRD2
SCHEMBL7403379 0.77 SMN1; SMN2 (0.55) SMN1; SMN2HTR1AHTR7L3MBTL1DRD2
SCHEMBL9081057 0.75 ITGB3 (0.67) SMN1; SMN2HTR7ITGB3ITGA2BMETAP1
SCHEMBL7402988 0.75 SMN1; SMN2 (0.47) SMN1; SMN2HTR1AHTR7L3MBTL1ITGB3
SCHEMBL8701303 0.73 ITGB3 (0.41) SMN1; SMN2ITGB3ITGA2BALDH1A1METAP1
SCHEMBL7398342 0.73 ITGB3 (0.49) SMN1; SMN2HTR1AHTR7L3MBTL1ITGB3

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