SCHEMBL6554091

SCHEMBL6554091

CC(=O)OOc1ccc(S(=O)(=O)c2ccc(C[C@@H](C)N)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NAMPT P43490 2/20 0.37
CSNK2A1 P68400 2/20 0.36
TAAR1 Q96RJ0 3/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL6554093 0.88 PNMT (0.43) PNMTSLC6A2SLC6A3ALDH1A1NAMPT
SCHEMBL6553061 0.87 KMT2A (0.38) SLC6A2NAMPTTAAR1PKM
SCHEMBL6553965 0.86 NAMPT (0.37) SLC6A2SLC6A3NAMPTTAAR1
SCHEMBL6552306 0.85 HTR6 (0.47) ALDH1A1NAMPTPKM
SCHEMBL6540959 0.82 TDP1 (0.48) ALDH1A1
SCHEMBL6552726 0.82 SLC6A4 (0.46) SLC6A2SLC6A3TAAR1PKM
SCHEMBL6554514 0.81 MTNR1B (0.41) SLC6A2NAMPTTAAR1PKM
SCHEMBL6554050 0.79 ADRB3 (0.57)
Hydrochloric Acid SCHEMBL6553930 0.78 SLC2A1 (0.57)
SCHEMBL6553063 0.78 KMT2A (0.47) SLC6A2TAAR1PKM

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-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed