SCHEMBL7447624

SCHEMBL7447624

CN1C[C@@H](Br)[C@@H](c2ccc(OCCCOCc3ccccc3)cc2)[C@@H](Br)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.46
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
LTA4H P09960 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6042271 0.81 KDM4E (0.44) RENKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL6043090 0.79 REN (0.41) RENKDM4EALDH1A1LMNALTA4H
Tert-Butyl Formate SCHEMBL27504348 0.77 REN (0.45) RENKDM4EALDH1A1LMNALTA4H
SCHEMBL6954184 0.76 KDM4E (0.39) RENKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL6042268 0.75 REN (0.45) RENKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL6043150 0.74 REN (0.51) RENKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL6043145 0.74 REN (0.51) RENKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL6951449 0.73 REN (0.49) RENKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL6044047 0.73 REN (0.45) RENKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL7591191 0.73 REN (0.45) RENKDM4EALDH1A1LMNAL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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