SCHEMBL7258296

SCHEMBL7258296

O=S(=O)(O)Nc1ccc(N2CCNCC2Cc2ccc3cccc-3o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.48
SLC6A4 P31645 9/20 0.44
SLC6A3 Q01959 9/20 0.44
SLC6A2 P23975 8/20 0.44
WEE1 P30291 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
MAPKAPK2 P49137 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR6 P50406 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
SCHEMBL3599470 0.74 POLB (0.41)
SCHEMBL27782044 0.74 CA1 (0.42) SLC6A4SLC6A3SLC6A2MAPKAPK2
SCHEMBL7258181 0.70 ADRB1 (0.43) ADRB1SLC6A4SLC6A3SLC6A2L3MBTL1
SCHEMBL5474914 0.69 ALDH1A1 (0.39)
SCHEMBL3643745 0.68 CHRNA7 (0.42)
SCHEMBL3644041 0.67 FAAH (0.42)
SCHEMBL2453349 0.65 FAAH (0.38)
SCHEMBL9596252 0.65 ADRB1 (1.00) ADRB1SLC6A4SLC6A3SLC6A2HTR6
SCHEMBL5787094 0.64 ADORA2A (0.34)
SCHEMBL9593901 0.63 ADRB1 (1.00) ADRB1SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003082263-A1 SULFAMIC ACIDS AS INHIBITORS OF HUMAN CYTOPLASMIC PROTEIN TYROSINE PHOSPHATASES ONTOGEN CORPORATION (US) 2003-10-09 WO disclosed