SCHEMBL6958296

SCHEMBL6958296

CC1CNCC(OCc2ccc3ccccc3c2)C1c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.52
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
KCNH2 Q12809 2/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45
HTR3A P46098 1/20 0.45
HTR4 Q13639 1/20 0.45

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
Hydrochloric Acid SCHEMBL8205392 0.99 REN (0.52) RENSLC6A2SLC6A4SLC6A3KCNH2
Tert-Butyl Formate SCHEMBL27489222 0.91 REN (0.47) RENSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7079623 0.84 REN (0.55) RENSLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL8209365 0.83 REN (0.54) REN
Tert-Butyl Formate SCHEMBL28740506 0.80 REN (0.49) REN
SCHEMBL6042340 0.79 REN (0.80) REN
SCHEMBL6042949 0.77 REN (0.41) REN
SCHEMBL6959225 0.75 REN (0.55) RENSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6959232 0.74 REN (0.69) RENSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6954219 0.74 REN (0.60) RENSLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1256326-C Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 2006-05-17 CN disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
CN-1202152-A Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 1998-12-16 CN 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