SCHEMBL11287253

SCHEMBL11287253

CCOC1(c2ccccc2)CNCCN1CC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.38
OPRD1 P41143 5/20 0.38
OPRK1 P41145 5/20 0.38
OPRL1 P41146 2/20 0.38
HTR2A P28223 1/20 0.36
SLC6A4 P31645 5/20 0.33
KCNH2 Q12809 3/20 0.33
SLC22A1 O15245 1/20 0.33
ADRA1A P35348 1/20 0.33
SLC6A2 P23975 4/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32
CACNA1F O60840 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5915123 0.76 OPRM1 (0.39) OPRM1OPRD1OPRK1HTR2ASLC6A4
SCHEMBL8588165 0.75 HTR2A (0.39) OPRM1OPRD1OPRK1HTR2ASLC6A4
SCHEMBL3958256 0.72 MAPT (0.37) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL15210113 0.69 HTR2A (0.34) OPRM1OPRD1OPRK1HTR2ASLC6A4
SCHEMBL5863813 0.69 OPRM1 (0.42) OPRM1OPRD1OPRK1HTR2ASLC6A4
SCHEMBL28137826 0.67 TSHR (0.31)
SCHEMBL16150146 0.67 SIGMAR1 (0.42) OPRM1OPRD1OPRK1OPRL1SIGMAR1
Methylamine SCHEMBL27471205 0.67 OPRM1 (0.40) OPRM1OPRD1OPRK1HTR2ASLC6A4
SCHEMBL5915111 0.67 OPRM1 (0.40) OPRM1HTR2ASIGMAR1
SCHEMBL28287844 0.67 OPRM1 (0.37) OPRM1OPRL1HTR2ACYP2D6SIGMAR1

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