SCHEMBL6949099

SCHEMBL6949099

COc1ccc(COC2CNCCC2(O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.53
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
DRD2 P14416 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPV6 Q9H1D0 1/20 0.37
EDNRA P25101 1/20 0.37
SCN9A Q15858 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
OPRM1 P35372 1/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
AVPR1A P37288 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
SCHEMBL8305726 0.86 DRD2 (0.41) RENDRD2
SCHEMBL6950570 0.83 SLC6A2 (0.50) REN
Tert-Butyl Formate SCHEMBL27562187 0.77 SLC6A2 (0.42) REN
SCHEMBL6042869 0.77 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL8175346 0.73 CHRNA1 (0.43) ALDH1A1OPRM1
SCHEMBL6954245 0.72 ALDH1A1 (0.40) RENALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6095802 0.72 SLC6A4 (0.43) RENSMN1; SMN2LMNAHTTSIGMAR1
SCHEMBL6096911 0.72 SLC6A4 (0.43) RENSMN1; SMN2LMNAHTTSIGMAR1
SCHEMBL655610 0.70 DRD2 (0.53) RENALDH1A1KMT2ADRD2LMNA
SCHEMBL653308 0.69 DRD2 (0.49) RENALDH1A1KMT2ADRD2LMNA

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 4 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
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US 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