SCHEMBL5750486

SCHEMBL5750486

CC1CN(C(=O)O)CCN1S(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
HTR7 P34969 2/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
DRD3 P35462 1/20 0.45
HTR6 P50406 1/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
GPR183 P32249 1/20 0.43
MBTD1 Q05BQ5 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
CTSC P53634 2/20 0.42
HSD11B1 P28845 2/20 0.42

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
SCHEMBL5327846 0.89 MMP1 (0.50) L3MBTL1
SCHEMBL4943200 0.86 L3MBTL1 (0.64) L3MBTL1MEN1KMT2ACNR1
SCHEMBL1467588 0.84 MMP1 (0.51) HSD11B1
SCHEMBL1467589 0.84 MMP1 (0.51) HSD11B1
SCHEMBL2832689 0.80 HCRTR1 (0.49) HCRTR1HCRTR2HSD11B1CNR1
SCHEMBL4005746 0.78 GPR183 (0.60) GPR183MBTD1L3MBTL3MEN1KMT2A
SCHEMBL15917207 0.78 CNR1 (0.51) L3MBTL1HTR6GPR183MEN1KMT2A
SCHEMBL15916184 0.78 CNR1 (0.51) L3MBTL1HTR6GPR183MEN1KMT2A
SCHEMBL2791575 0.77 PSEN1 (0.57) L3MBTL1MEN1KMT2AHSD11B1CNR1
SCHEMBL26848353 0.77 L3MBTL1 (0.62) L3MBTL1HTR6MEN1KMT2ACNR1

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-1701944-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-09-20 EP disclosed
WO-2005066139-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-21 WO disclosed