SCHEMBL4761968

SCHEMBL4761968

CN1CCN(c2cccc(S(=O)(=O)N3CCNCC3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.57
HTR1A P08908 4/20 0.52
HTR2A P28223 4/20 0.52
HTR7 P34969 4/20 0.52
DRD2 P14416 3/20 0.52
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 2/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.49
HTR2C P28335 1/20 0.48
DRD3 P35462 1/20 0.48

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
Hydrochloric Acid SCHEMBL31322341 0.82 HTR6 (0.66) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL21442594 0.78 DRD2 (0.71) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL3454087 0.77 HTR6 (0.70) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL13365285 0.77 ALDH1A1 (0.59) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL28015570 0.74 HTR6 (0.56) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL6798179 0.74 MBTD1 (0.59) HTR6PKM
SCHEMBL266849 0.74 PKM (0.67) POLBPKMHTTMAPK1LMNA
SCHEMBL12719397 0.74 HTR6 (0.70) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL30754642 0.74 TDO2 (0.60) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL6224554 0.74 PKM (0.67) POLBPKMHTTMAPK1LMNA

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-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 EP disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 WO disclosed