SCHEMBL7206894

SCHEMBL7206894

CC(C)c1[c]c(C(C)C)cc(C(=O)C(c2ccccc2)C2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.47
HTR1E P28566 3/20 0.47
S1PR3 Q99500 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.46
CYP3A4 P08684 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL7211948 0.99 CHRM3 (0.48) CHRM3HTR1ES1PR3LMNAMEN1
SCHEMBL7206890 0.79 CHRM3 (0.44) CHRM3HTR1ES1PR3LMNAMEN1
SCHEMBL7211946 0.78 CHRM3 (0.45) CHRM3HTR1ES1PR3LMNAMEN1
SCHEMBL7211288 0.77 PTGS2 (0.41) LMNAMAPTCYP3A4ADRA2AKCNH2
SCHEMBL7207551 0.77 L3MBTL1 (0.56) LMNAMAPTCYP3A4
SCHEMBL7211248 0.72 LMNA (0.57) LMNAMAPTHTT
SCHEMBL10298827 0.72 LMNA (0.58) CHRM3HTR1ES1PR3LMNAMEN1
SCHEMBL7103544 0.72 SLC6A2 (0.62) CHRM3HTR1ES1PR3LMNAMEN1
SCHEMBL28373611 0.71 HTR1E (0.65) CHRM3HTR1ES1PR3LMNAMEN1
SCHEMBL69127 0.71 HTR1E (0.65) CHRM3HTR1ES1PR3LMNAMEN1

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-0841913-B1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER LAMBERT CO (US) 2003-02-05 EP claimed
EP-0698010-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-28 EP claimed