SCHEMBL7078161

SCHEMBL7078161

CC(C)(C)OC(=O)ON1CCC(c2ccc(CCSc3nc4ccccc4s3)cc2)C(OCc2cc(OCOCC[Si](C)(C)C)c3ccccc3c2)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
CCR1 P32246 1/20 0.32
CCR3 P51677 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ELANE P08246 2/20 0.31
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
PRTN3 P24158 1/20 0.30
MAPT P10636 1/20 0.30
REN P00797 1/20 0.30

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
SCHEMBL7075342 0.89 REN (0.32) REN
SCHEMBL6042568 0.89 CTSD (0.37) CTSDCTSECCR1CCR3ALDH1A1
SCHEMBL7078095 0.89 REN (0.32) REN
SCHEMBL7077071 0.87 REN (0.34) REN
SCHEMBL7082322 0.85 REN (0.33) REN
SCHEMBL7084575 0.85 CTSD (0.43) CTSDCTSECCR1CCR3ALDH1A1
SCHEMBL7079543 0.84 REN (0.39) REN
SCHEMBL7082411 0.84 REN (0.34) REN
SCHEMBL7079178 0.83 REN (0.33) REN
SCHEMBL7079990 0.83 REN (0.38) 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