SCHEMBL5268919

SCHEMBL5268919

Cc1ccc(OS(=O)(=O)c2ccccc2)c(C(CC(N)(C(C)C)C(C)C)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
KMT2A Q03164 6/20 0.39
TDP1 Q9NUW8 4/20 0.39
GAA P10253 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 6/20 0.39
ALDH1A1 P00352 9/20 0.38
MEN1 O00255 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CHRM2 P08172 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
HRH1 P35367 2/20 0.37
ESR1 P03372 1/20 0.37
CHRM4 P08173 1/20 0.37
KCNE1 P15382 1/20 0.37
PTGS1 P23219 1/20 0.37
HRH2 P25021 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL5267792 0.93 SMN1; SMN2 (0.35) MAPTKMT2ATDP1GAASMN1; SMN2
SCHEMBL5269559 0.88 MAPT (0.36) MAPTKMT2ATDP1GAALMNA
SCHEMBL2781332 0.82 KMT2A (0.39) MAPTKMT2ATDP1GAALMNA
SCHEMBL4885915 0.80 MAPT (0.61) MAPTKMT2ATDP1GAASMN1; SMN2
SCHEMBL4881541 0.79 MAPT (0.43) MAPTKMT2ATDP1GAASMN1; SMN2
SCHEMBL4881596 0.78 MAPT (0.42) MAPTKMT2ATDP1GAASMN1; SMN2
SCHEMBL5270882 0.78 L3MBTL1 (0.34) MAPTKMT2AGAALMNAALDH1A1
SCHEMBL5269800 0.77 CHRM2 (0.37) MAPTKMT2AGAALMNAALDH1A1
SCHEMBL4878565 0.76 MAPT (0.60) MAPTKMT2ATDP1GAASMN1; SMN2
SCHEMBL580445 0.74 MAPT (0.56) MAPTKMT2ATDP1GAASMN1; SMN2

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-1838659-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-METHYLPHENYL)-N,N-DIISOPROPYL-3­PHENYLPROPYLAMINE LEK Pharmaceuticals D.D. (SI) 2007-10-03 EP disclosed
WO-2006066931-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-METHYLPHENYL)-N,N-DIISOPROPYL-3­PHENYLPROPYLAMINE LEK PHARMACEUTICALS D.D. (SI) 2006-06-29 WO disclosed