SCHEMBL7078110

SCHEMBL7078110

CCCC1CNCC(OC(CC)c2nc3ccccc3[nH]2)C1c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
PTPN1 P18031 2/20 0.34
IDO1 P14902 2/20 0.34
LMNA P02545 4/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRKG1 Q13976 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MLKL Q8NB16 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
Hydrochloric Acid SCHEMBL7591151 0.99 GAA (0.37) GAAPTPN1IDO1LMNAALDH1A1
SCHEMBL6042000 0.82 LMNA (0.37) GAAPTPN1LMNAALDH1A1SMN1; SMN2
SCHEMBL7073946 0.79 ALDH1A1 (0.35) GAAPTPN1LMNAALDH1A1SMN1; SMN2
SCHEMBL7078105 0.69 TP53 (0.48) GAALMNAALDH1A1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL7591150 0.69 TP53 (0.47) GAALMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL6042922 0.67 REN (0.59)
SCHEMBL6041749 0.67 SLC6A3 (0.42)
SCHEMBL6953310 0.64 REN (0.60) SMN1; SMN2
SCHEMBL7553812 0.62 CHRM2 (0.36) GAALMNAALDH1A1SMN1; SMN2
SCHEMBL15063677 0.62 TAAR1 (0.54) GAAIDO1LMNAALDH1A1SMN1; SMN2

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