SCHEMBL5267792

SCHEMBL5267792

Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2)c(C(CC(N)(C(C)C)C(C)C)c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 7/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 6/20 0.34
CHRM2 P08172 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
HRH1 P35367 2/20 0.34
ESR1 P03372 1/20 0.34
CHRM4 P08173 1/20 0.34
KCNE1 P15382 1/20 0.34
PTGS1 P23219 1/20 0.34
HRH2 P25021 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL5268919 0.93 MAPT (0.39) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL5269559 0.83 MAPT (0.36) MAPTKMT2AALDH1A1MEN1NPSR1
SCHEMBL4878558 0.82 MAPT (0.56) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL4883990 0.81 MAPT (0.39) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL2781332 0.78 KMT2A (0.39) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL4878565 0.75 MAPT (0.60) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL5270882 0.74 L3MBTL1 (0.34) MAPTKMT2AALDH1A1MEN1NPSR1
SCHEMBL4885915 0.73 MAPT (0.61) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL5269800 0.73 CHRM2 (0.37) MAPTKMT2AALDH1A1MEN1NPSR1
SCHEMBL4881541 0.73 MAPT (0.43) SMN1; SMN2MAPTKMT2AALDH1A1MEN1

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