SCHEMBL7084575

SCHEMBL7084575

CC(C)(C)OC(=O)ON1CCC(c2ccc(CCSc3nc4ccccc4s3)cc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.43
CTSE P14091 2/20 0.43
REN P00797 8/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
PTGS2 P35354 1/20 0.36
KMT2A Q03164 1/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
CCR1 P32246 1/20 0.35
CCR3 P51677 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL7502327 0.96 CTSD (0.45) CTSDCTSERENALDH1A1SMN1; SMN2
SCHEMBL7080761 0.93 CTSD (0.41) CTSDCTSERENALDH1A1SMN1; SMN2
SCHEMBL7078315 0.86 REN (0.44) REN
SCHEMBL7078161 0.85 CTSD (0.35) CTSDCTSERENALDH1A1SMN1; SMN2
SCHEMBL6041782 0.85 CTSD (0.47) CTSDCTSERENALDH1A1SMN1; SMN2
SCHEMBL7078121 0.84 MAPT (0.43) CTSDCTSERENALDH1A1SMN1; SMN2
SCHEMBL7076769 0.83 REN (0.45) REN
SCHEMBL7080058 0.82 REN (0.43) REN
SCHEMBL7078212 0.82 REN (0.47) REN
SCHEMBL7082058 0.82 REN (0.48) REN

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