SCHEMBL7080733

SCHEMBL7080733

CSc1ccc(COC2CN(OC(=O)OC(C)(C)C)CCC2c2ccc(OCCOCCc3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.45
YAP1 P46937 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KLK7 P49862 1/20 0.34

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
SCHEMBL7078529 0.89 REN (0.59) REN
SCHEMBL6041822 0.85 REN (0.49) RENYAP1KDM1AMAOAMAOB
SCHEMBL6956250 0.85 REN (0.47) RENKDM4EALDH1A1LMNA
SCHEMBL7083203 0.84 REN (0.58) REN
SCHEMBL6954131 0.84 PPARG (0.36) RENYAP1ALDH1A1LMNAKLK7
SCHEMBL7076319 0.83 KDM1A (0.40) RENKDM1AMAOAMAOBKDM4E
SCHEMBL6960306 0.83 REN (0.35) REN
SCHEMBL6960968 0.83 GPR119 (0.40) RENKDM1AKLK7
SCHEMBL7082632 0.83 REN (0.46) RENKDM4EALDH1A1LMNA
SCHEMBL6953003 0.83 GPR119 (0.36) RENYAP1KDM1AALDH1A1

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