SCHEMBL294778

SCHEMBL294778

CN1CNc2ccc(OCCCN3CCN(c4cccc5sccc45)CC3)cc2C1O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.58
HTR1A P08908 2/20 0.57
HTR2A P28223 2/20 0.57
HTR2C P28335 1/20 0.57
ADRA1A P35348 1/20 0.57
HRH1 P35367 1/20 0.57

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 SCHEMBL511594 0.99 DRD2 (0.57) DRD2HTR1AHTR2AHTR2CADRA1A
Hydrochloric Acid SCHEMBL293811 0.81 DRD2 (0.62) DRD2
SCHEMBL294071 0.78 DRD2 (0.63) DRD2HTR1AHTR2AHTR2CADRA1A
SCHEMBL4302769 0.78 HTR1A (0.65) DRD2HTR1AHTR2AHTR2CADRA1A
SCHEMBL4302011 0.78 HTR1A (0.65) DRD2HTR1AHTR2AHTR2CADRA1A
Hydrochloric Acid SCHEMBL293576 0.78 DRD2 (0.75) DRD2
Hydrochloric Acid SCHEMBL299134 0.78 DRD2 (0.62) DRD2HTR1AHTR2AHTR2CADRA1A
SCHEMBL1039673 0.77 DRD2 (0.69) DRD2
Hydrochloric Acid SCHEMBL510767 0.77 DRD2 (0.61) DRD2HTR1AHTR2AHTR2CADRA1A
SCHEMBL1038131 0.77 DRD2 (0.70) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287161-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2287162-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
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-B9 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-01-18 EP disclosed
EP-1919907-B1 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2011-02-23 EP disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-2287161-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-23 EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed