SCHEMBL31052244

SCHEMBL31052244

Oc1ccc(N2CCNC(O)C2)c2c1OCCO2

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.65
DRD3 P35462 12/20 0.65
HTR2A P28223 7/20 0.65
DRD1 P21728 5/20 0.65
SIGMAR1 Q99720 1/20 0.65
DRD4 P21917 9/20 0.54
ADRB1 P08588 1/20 0.38
DRD5 P21918 2/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTR2C P28335 1/20 0.30

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
SCHEMBL31051856 0.86 DRD2 (0.65) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31051766 0.85 DRD2 (0.46) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31051793 0.85 DRD2 (0.46) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31052082 0.85 DRD2 (0.46) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31051987 0.85 DRD2 (0.63) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31052098 0.85 DRD2 (0.63) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31052214 0.80 ADRB1 (0.63) ADRB1ALDH1A1LMNA
SCHEMBL31052238 0.79 DRD2 (1.00) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31052115 0.78 DRD2 (0.42) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31051888 0.76 ADRB1 (0.39) DRD2DRD3HTR2ADRD1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4678188-A1 PHARMACEUTICAL COMPOSITION FOR TREATING, PREVENTING, OR MANAGING BILIRUBIN-INDUCED NEUROLOGICAL DYSFUNCTION, PSYCHIATRIC DISORDERS ASSOCIATED WITH JAUNDICE, OR PSYCHIATRIC DISORDERS CAUSED BY BILIRUBIN UDP-GLUCURONOSYLTRANSFERASE GENE MUTATIONS Ohnishi, Arata (JP) 2026-01-14 EP disclosed
WO-2024185842-A1 PHARMACEUTICAL COMPOSITION FOR TREATING, PREVENTING, OR MANAGING BILIRUBIN-INDUCED NEUROLOGICAL DYSFUNCTION, PSYCHIATRIC DISORDERS ASSOCIATED WITH JAUNDICE, OR PSYCHIATRIC DISORDERS CAUSED BY BILIRUBIN UDP-GLUCURONOSYLTRANSFERASE GENE MUTATIONS 国立大学法人島根大学 2024-09-12 WO disclosed