SCHEMBL7073946

SCHEMBL7073946

CCCC1CN(OC(=O)OC(C)(C)C)CC(OC(CC)c2nc3ccccc3[nH]2)C1c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
PTPN1 P18031 4/20 0.33
GLA P06280 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL6042000 0.85 LMNA (0.37) ALDH1A1LMNASMN1; SMN2GAAPTPN1
SCHEMBL7078110 0.79 GAA (0.38) ALDH1A1LMNASMN1; SMN2GAAPTPN1
Hydrochloric Acid SCHEMBL7591151 0.78 GAA (0.37) ALDH1A1LMNASMN1; SMN2GAAPTPN1
SCHEMBL6951399 0.74 SLC6A3 (0.37) ALDH1A1
SCHEMBL7076314 0.73 REN (0.43)
SCHEMBL6952745 0.70 REN (0.41) ALDH1A1
SCHEMBL7074672 0.65 MDM2 (0.33) ALDH1A1SMN1; SMN2GAA
SCHEMBL6953266 0.62 SLC6A3 (0.41)
SCHEMBL6960697 0.61 MEN1 (0.33) GAA
SCHEMBL7073808 0.61 GPBAR1 (0.41)

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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed