SCHEMBL11287256

SCHEMBL11287256

CCOc1ccccc1C1CNCCN1CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.44
SLC6A4 P31645 8/20 0.44
HTR2A P28223 6/20 0.44
HTR2B P41595 5/20 0.44
SLC6A3 Q01959 3/20 0.44
ADRB2 P07550 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2C P28335 5/20 0.44
HCRTR2 O43614 1/20 0.43
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CACNA1F O60840 2/20 0.41
CACNA1D Q01668 2/20 0.41
KCNH2 Q12809 2/20 0.41
CACNA1S Q13698 2/20 0.41
CACNA1C Q13936 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL4558285 0.81 KDM4E (0.39) SLC6A2SLC6A4HTR2AHTR2BSLC6A3
SCHEMBL8588169 0.80 HTR2C (0.46) SLC6A2SLC6A4HTR2AHTR2BHTR2C
SCHEMBL5915126 0.77 DRD2 (0.51) HTR2AHTR2BHTR1AHTR2C
SCHEMBL6446140 0.76 HTR2C (0.50) HTR2AHTR2BHTR2CCYP3A4TAAR1
SCHEMBL410563 0.75 P2RX7 (0.43) SLC6A2SLC6A4HTR2AHTR2BSLC6A3
SCHEMBL470870 0.75 P2RX7 (0.43) SLC6A2SLC6A4HTR2AHTR2BSLC6A3
SCHEMBL15210114 0.74 PKM (0.40) HTR2AHTR2BHTR2CTAAR1ALDH1A1
SCHEMBL1074633 0.73 HTR2C (0.47) HTR2AHTR2BHTR1AHTR2C
SCHEMBL11874335 0.72 SLC6A2 (0.38) SLC6A2SLC6A4HTR2AHTR2BSLC6A3
SCHEMBL18950390 0.72 HTR2C (0.46) HTR2AHTR2BHTR2CCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0067769-A1 1,2,3,4,4a,9b-Hexahydro-4a-piperazinylmethyl-4-dibenzofuranones or substituted 4-dibenzofuranoles, process for their preparation and their therapeutic use RIOM LABORATOIRES- C.E.R.M. (Société Anonyme) (FR) 1982-12-22 EP disclosed