SCHEMBL6404128

SCHEMBL6404128

O=S(=O)(CCCCN1CCCC1)c1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MITF O75030 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HRH3 Q9Y5N1 5/20 0.52
MCOLN3 Q8TDD5 2/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.51
HTR7 P34969 4/20 0.49
SLC2A1 P11166 1/20 0.48
HTR6 P50406 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
SCHEMBL7014699 0.81 F10 (0.48) HTTMAPTMEN1KMT2AMITF
SCHEMBL6341348 0.80 POLB (0.74) L3MBTL1POLBHTR7HTR6
SCHEMBL6338842 0.78 POLB (0.80) L3MBTL1POLBHTR7HTR6
SCHEMBL6340299 0.76 ALDH1A1 (0.56) HTTALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL4629666 0.76 ALDH1A1 (0.57) HTTALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL14093532 0.75 HTR2C (0.48) HTTMAPTALDH1A1LMNAHSD17B10
SCHEMBL6340577 0.75 HTR7 (0.70) ALDH1A1POLBHTR7HTR6
SCHEMBL4629544 0.75 ALDH1A1 (0.56) HTTALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL4629901 0.74 ALDH1A1 (0.58) HTTALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL6337236 0.74 HTR7 (0.68) ALDH1A1POLBHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878736-B1 Histamine H3 receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2005-04-12 US disclosed
EP-1056733-B1 HISTAMINE H3 RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2004-01-07 EP disclosed
EP-1056733-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-12-06 EP disclosed
WO-1999042458-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-08-26 WO disclosed