SCHEMBL31051972

SCHEMBL31051972

NC1CN(c2c(O)ccc3c2OCCO3)CCN1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
DRD1 P21728 2/20 0.41
HTR2A P28223 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
ADRB1 P08588 1/20 0.38
DRD4 P21917 2/20 0.33
ALOX5 P09917 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
SCHEMBL31052115 0.86 DRD2 (0.42) DRD2DRD3DRD1HTR2ASIGMAR1
SCHEMBL31051933 0.86 DRD2 (0.42) DRD2DRD3DRD1HTR2ASIGMAR1
SCHEMBL31052287 0.86 ADRB1 (0.39) DRD2DRD3DRD1HTR2ASIGMAR1
SCHEMBL31052229 0.85 DRD2 (0.41) DRD2DRD3DRD1HTR2ASIGMAR1
SCHEMBL31051800 0.85 ADRB1 (0.38) DRD2DRD3DRD1HTR2ASIGMAR1
SCHEMBL31051827 0.79 DRD2 (0.59) DRD2DRD3DRD1HTR2ASIGMAR1
SCHEMBL31051987 0.79 DRD2 (0.63) DRD2DRD3DRD1HTR2ASIGMAR1
SCHEMBL31052160 0.76 ADRB1 (0.63) ADRB1
SCHEMBL31052162 0.74 ADRB1 (0.38) DRD2DRD3DRD1HTR2ASIGMAR1
SCHEMBL31052138 0.74 DRD2 (0.41) DRD2DRD3DRD1HTR2ASIGMAR1

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