SCHEMBL27686010

SCHEMBL27686010

NCc1ccc(OS(=O)(=O)c2ccccc2)c(C(CCI)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
MAPT P10636 5/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
GAA P10253 2/20 0.36
F2 P00734 2/20 0.35
ALDH1A1 P00352 6/20 0.35
HTR6 P50406 2/20 0.34
PTPN1 P18031 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
ALPL P05186 1/20 0.32
METAP2 P50579 1/20 0.32

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
SCHEMBL27686044 0.90 LOXL2 (0.39) CHRM2CHRM1MAPTKMT2AALDH1A1
SCHEMBL27686029 0.87 CHRM2 (0.40) CHRM2CHRM1HTR6
SCHEMBL27686036 0.85 CHRM2 (0.56) CHRM2CHRM1MAPTKMT2ASMN1; SMN2
SCHEMBL4881541 0.83 MAPT (0.43) CHRM2CHRM1MAPTKMT2ASMN1; SMN2
SCHEMBL27686030 0.77 CHRM2 (0.49) CHRM2CHRM1MAPTKMT2AALDH1A1
SCHEMBL4883990 0.76 MAPT (0.39) CHRM2CHRM1MAPTKMT2ASMN1; SMN2
SCHEMBL27686040 0.75 CHRM2 (0.57) CHRM2CHRM1MAPTKMT2ASMN1; SMN2
SCHEMBL27705084 0.75 F2 (0.41) SMN1; SMN2F2ALDH1A1HTR6PTPN1
SCHEMBL4878959 0.74 ALPL (0.40) CHRM2CHRM1MAPTKMT2AALDH1A1
SCHEMBL4883077 0.71 CHRM2 (0.41) CHRM2CHRM1MAPTKMT2AGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101087751-B Process for preparation of 3-(2-hydroxy-5-methylphenyl)-n,n-diisopropyl-3phenylpropylamine LEK PHARMACEUTICALS 2011-11-02 CN claimed
CN-101087751-A Process for preparation of 3-(2-hydroxy-5-methylphenyl)-n,n-diisopropyl-3phenylpropylamine LEK PHARMACEUTICALS (SI) 2007-12-12 CN claimed
CN-101087751-B Process for preparation of 3-(2-hydroxy-5-methylphenyl)-n,n-diisopropyl-3phenylpropylamine LEK PHARMACEUTICALS 2011-11-02 CN disclosed
CN-101087751-A Process for preparation of 3-(2-hydroxy-5-methylphenyl)-n,n-diisopropyl-3phenylpropylamine LEK PHARMACEUTICALS (SI) 2007-12-12 CN disclosed