SCHEMBL293261

SCHEMBL293261

CCC(C)CCOc1[c]c2ccccc2cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.33
MCHR1 Q99705 2/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL292920 0.86 TLR8 (0.41) TLR8MCHR1
SCHEMBL2458695 0.85 MCHR1 (0.30) MCHR1
SCHEMBL1389283 0.81 TLR8 (0.37) TLR8MCHR1GPBAR1
SCHEMBL2256189 0.80 L3MBTL1 (0.41) TLR8MCHR1GPBAR1
SCHEMBL1396371 0.78 LTA4H (0.41) TLR8MCHR1GPBAR1
SCHEMBL64412 0.77 ALDH1A1 (0.34) TLR8
SCHEMBL6283599 0.77 MCHR1 (0.41) TLR8MCHR1GPBAR1
SCHEMBL2458064 0.77 MCHR1 (0.41) TLR8MCHR1GPBAR1
SCHEMBL2456698 0.77 MCHR1 (0.41) TLR8MCHR1GPBAR1
SCHEMBL2456166 0.77 NCF1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2284169-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-03-14 EP disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed