SCHEMBL7082870

SCHEMBL7082870

CC(C)(C)OC(=O)ON1CCC(c2ccc(CCc3nnc(-c4ccccc4)o3)cc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL7084975 0.94 REN (0.40) RENNPC1RAB9AMAPTKDM4E
SCHEMBL7080921 0.92 REN (0.46) RENNPC1RAB9AMAPTALDH1A1
SCHEMBL7082065 0.87 REN (0.40) REN
SCHEMBL7081341 0.87 REN (0.51) RENNPC1RAB9AMAPT
SCHEMBL6042288 0.85 NPC1 (0.43) RENNPC1RAB9AMAPTKDM4E
SCHEMBL7082058 0.85 REN (0.48) REN
SCHEMBL7076344 0.84 REN (0.46) REN
SCHEMBL7076769 0.84 REN (0.45) REN
SCHEMBL7078212 0.83 REN (0.47) REN
SCHEMBL7083199 0.83 REN (0.46) 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 1 patent. 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