SCHEMBL20751674

SCHEMBL20751674

CNC(=O)OC(C)OC(=O)N1C(N2CCN(C)CC2)=c2ccccc2=Nc2ccc(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 17/20 0.38
DRD2 P14416 18/20 0.38
ADRA2A P08913 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL23125441 0.91 DRD1 (0.40) DRD1DRD2DRD4
SCHEMBL15047808 0.88 DRD2 (0.39) DRD1DRD2DRD4
SCHEMBL20751562 0.87 DRD2 (0.38) DRD1DRD2DRD4
SCHEMBL20751694 0.85 DRD2 (0.36) DRD1DRD2
SCHEMBL20751623 0.85 DRD2 (0.36) DRD1DRD2
SCHEMBL24199398 0.81 DRD2 (0.40) DRD1DRD2DRD4
SCHEMBL24199399 0.80 DRD2 (0.41) DRD1DRD2ADRA2ADRD4DRD5
SCHEMBL23125443 0.79 DRD2 (0.41) DRD1DRD2DRD4
SCHEMBL15047809 0.79 DRD2 (0.40) DRD1DRD2DRD4
SCHEMBL20751555 0.78 DRD2 (0.40) DRD1DRD2DRD4

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-2790734-B1 PRODRUGS OF SECONDARY AMINE COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2019-02-20 EP disclosed