SCHEMBL11268568

SCHEMBL11268568

COc1ccc(C(=O)C(C)N2CCCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.70
SLC6A3 Q01959 6/20 0.70
CHRNB2 P17787 5/20 0.70
CHRNB4 P30926 5/20 0.70
CHRNA3 P32297 5/20 0.70
CHRNA4 P43681 5/20 0.70
CHRNA1 P02708 4/20 0.70
CHRNG P07510 4/20 0.70
CHRNB1 P11230 4/20 0.70
CHRND Q07001 4/20 0.70
SLC6A4 P31645 2/20 0.62
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 2/20 0.61
GAA P10253 1/20 0.61
HPGD P15428 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51

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
SCHEMBL896456 0.98 SLC6A2 (0.68) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL17644180 0.98 SLC6A2 (0.68) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL22614717 0.97 SLC6A2 (0.66) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL11270333 0.84 HPGD (0.61) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL6811754 0.82 ALDH1A1 (0.61) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL8198232 0.81 SLC6A2 (0.55) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL5953978 0.81 SLC6A2 (0.68) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL9796926 0.81 SLC6A3 (0.60) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL9360364 0.81 SLC6A3 (0.60) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL11265978 0.81 SLC6A2 (0.65) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3

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
US-4361573-A α,α-Diaryl-β-(tert-amino)-propanols and diuretic pharmaceutical compositions containing them TEMMLER AG (CH) 1982-11-30 US disclosed
US-4025633-A DIURETICS, SALURETICS FIRMA TEMMLER A.G. (CH) 1977-05-24 US disclosed