SCHEMBL31052287

SCHEMBL31052287

Nc1ccc2c(c1N1CCNC(N)C1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.39
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL31051963 0.87 ADRB1 (0.39) ADRB1DRD2DRD1HTR2ADRD3
SCHEMBL31051800 0.86 ADRB1 (0.38) ADRB1DRD2DRD1HTR2ADRD3
SCHEMBL31051972 0.86 DRD2 (0.41) ADRB1DRD2DRD1HTR2ADRD3
SCHEMBL31051792 0.86 ADRB1 (0.38) ADRB1DRD2DRD1HTR2ADRD3
SCHEMBL31052247 0.80 ADRB1 (0.55) ADRB1DRD2DRD1HTR2ADRD3
SCHEMBL31051852 0.78 DRD2 (0.43) ADRB1DRD2DRD1HTR2ADRD3
SCHEMBL31052160 0.77 ADRB1 (0.63) ADRB1
SCHEMBL31051788 0.74 ADRB1 (0.39) ADRB1DRD2DRD1HTR2ADRD3
SCHEMBL31052178 0.73 ADRB1 (0.36) ADRB1
SCHEMBL31051770 0.72 ADRB1 (0.35) ADRB1DRD2DRD1HTR2ADRD3

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