SCHEMBL23720997

SCHEMBL23720997

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

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.61
HTR2A P28223 15/20 0.57
HTR1A P08908 12/20 0.57
DRD4 P21917 2/20 0.48
DRD1 P21728 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL23722211 0.91 DRD2 (0.56) DRD2HTR2AHTR1ADRD4DRD1
SCHEMBL23720956 0.90 DRD2 (0.59) DRD2HTR2AHTR1ADRD4DRD1
SCHEMBL23721414 0.87 DRD2 (0.59) DRD2HTR2AHTR1ADRD4DRD1
SCHEMBL24654555 0.86 DRD2 (0.63) DRD2HTR2AHTR1ADRD4DRD1
SCHEMBL23721758 0.86 DRD2 (0.67) DRD2HTR2AHTR1ADRD3
SCHEMBL23721397 0.85 DRD2 (0.61) DRD2HTR2AHTR1ADRD4DRD1
SCHEMBL23721794 0.85 DRD2 (0.61) DRD2HTR2AHTR1ADRD4DRD1
SCHEMBL24654638 0.84 DRD2 (0.56) DRD2HTR2AHTR1ADRD4DRD1
SCHEMBL24654611 0.83 DRD2 (0.60) DRD2HTR2AHTR1ADRD4DRD1
SCHEMBL24654560 0.83 DRD2 (0.59) DRD2HTR2AHTR1ADRD4DRD1

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