SCHEMBL11258699

SCHEMBL11258699

CC(C)c1cc(C(=O)C(C)N2CCCCC2)cc(C(C)C)c1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.61
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
SLC6A2 P23975 6/20 0.48
CHRNB4 P30926 6/20 0.48
CHRNA3 P32297 6/20 0.48
SLC6A3 Q01959 6/20 0.48
CHRNB2 P17787 5/20 0.48
CHRNA4 P43681 5/20 0.48
CHRNA1 P02708 4/20 0.48
CHRNG P07510 4/20 0.48
CHRNB1 P11230 4/20 0.48
CHRND Q07001 4/20 0.48
SLC6A4 P31645 1/20 0.47
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL16860701 0.84 GLRA1 (0.73) GLRA1ALDH1A1GAAMEN1KMT2A
SCHEMBL22664709 0.81 EGFR (0.58) KDM4EALDH1A1GAASLC6A2CHRNB4
SCHEMBL22664708 0.80 NPC1 (0.56) KDM4EALDH1A1GAAMAOBEGFR
SCHEMBL16860678 0.79 GLRA1 (0.79) GLRA1KDM4EMEN1KMT2ALMNA
SCHEMBL16860746 0.76 GLRA1 (1.00) GLRA1KDM4EALDH1A1MEN1KMT2A
SCHEMBL16860700 0.75 GLRA1 (0.71) GLRA1KDM4EALDH1A1GAAMEN1
SCHEMBL11258712 0.75 SLC6A4 (0.51) GLRA1KDM4EALDH1A1GAASLC6A2
SCHEMBL1072701 0.74 SLC6A2 (0.69) KDM4EALDH1A1GAASLC6A2CHRNB4
SCHEMBL18199242 0.74 GLRA1 (1.00) GLRA1KDM4EALDH1A1MEN1KMT2A
SCHEMBL24534624 0.73 ALDH1A1 (0.49) KDM4EALDH1A1GAASLC6A2CHRNB4

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