SCHEMBL23722211

SCHEMBL23722211

CCCCCCC(=O)NCCCC(=O)OCN(C(C)=O)c1cc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.56
HTR2A P28223 14/20 0.56
HTR1A P08908 11/20 0.56
DRD3 P35462 3/20 0.49
DRD4 P21917 2/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL19019006 0.87 DRD2 (0.55) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL7835425 0.80 DRD2 (0.57) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL7850186 0.80 DRD2 (0.57) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL1042913 0.80 DRD2 (0.57) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL19018993 0.78 DRD2 (0.54) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL12045242 0.77 DRD2 (0.62) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL19018842 0.77 DRD2 (0.54) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL3260646 0.77 DRD2 (0.80) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL22417544 0.76 DRD2 (0.49) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL22417545 0.76 DRD2 (0.54) DRD2HTR2AHTR1ADRD3DRD4

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-2445343-B1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2021-08-04 EP disclosed