SCHEMBL7547980

SCHEMBL7547980

N#Cc1ccc(C2CCNCC2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.45
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
HRH3 Q9Y5N1 2/20 0.36
GRIA4 P48058 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36

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 SCHEMBL31219767 0.98 KDM1A (0.44) KDM1ADRD2DRD3TLR9TLR8
SCHEMBL19097411 0.81 ESR2 (0.41) KDM1ATLR9TLR8TLR7
SCHEMBL8193235 0.81 ESR2 (0.41) KDM1ATLR9TLR8TLR7
SCHEMBL6042043 0.81 ESR2 (0.41) KDM1ATLR9TLR8TLR7
SCHEMBL4659995 0.79 HTR3A (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL6042034 0.79 TLR9 (0.44) KDM1ATLR9TLR8TLR7
SCHEMBL13818151 0.79 GRK2 (0.47) KDM1ATLR9TLR8TLR7SLC6A2
SCHEMBL6042307 0.79 GRK2 (0.47) KDM1ATLR9TLR8TLR7SLC6A2
SCHEMBL6041893 0.79 FPR1 (0.44) KDM1ATLR9TLR8TLR7SLC6A4
Hydrochloric Acid SCHEMBL4601092 0.79 GRK2 (0.41) KDM1ATLR9TLR8TLR7

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