SCHEMBL6711503

SCHEMBL6711503

C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ccccc23)C[C@H](C)N1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.56
CTSB P07858 6/20 0.56
GAA P10253 1/20 0.41
HTR1A P08908 1/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SLC12A2 P55011 1/20 0.38
SLC12A5 Q9H2X9 1/20 0.38

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
SCHEMBL6711500 1.00 AR (0.56) ARCTSBGAAHTR1AMAPT
SCHEMBL3619196 0.79 AR (0.61) ARCTSBGAAMAPTHTT
SCHEMBL4872032 0.79 AR (0.61) ARCTSBGAAMAPTHTT
SCHEMBL3619197 0.79 AR (0.61) ARCTSBGAAMAPTHTT
SCHEMBL3624869 0.76 CTSB (0.69) ARCTSBGAAMAPTHTT
SCHEMBL17599487 0.75 CTSB (0.59) ARCTSBTDP1ALDH1A1LMNA
SCHEMBL17599443 0.75 CTSB (0.59) ARCTSBTDP1ALDH1A1LMNA
SCHEMBL3624023 0.74 AR (0.52) ARCTSBMAPTALDH1A1LMNA
SCHEMBL5240888 0.74 CTSB (0.66) ARCTSBGAAMAPTHTT
SCHEMBL4245020 0.73 AR (0.60) ARCTSBGAAMAPTHTT

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-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP disclosed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 WO disclosed