SCHEMBL31052224

SCHEMBL31052224

Cc1cc2c(c(N3CCNC(O)C3)c1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.38
HTR6 P50406 5/20 0.36
HTR1A P08908 9/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL31052071 0.87 HTR6 (0.41) ADRB1HTR6
SCHEMBL31051888 0.86 ADRB1 (0.39) ADRB1HTR1ADRD2DRD1HTR2A
SCHEMBL31051802 0.85 HTR1A (0.46) ADRB1HTR6HTR1ADRD2DRD1
SCHEMBL31051896 0.85 ADRB1 (0.38) ADRB1HTR6DRD2DRD1HTR2A
SCHEMBL31052006 0.85 ADRB1 (0.38) ADRB1HTR6HTR1ADRD2DRD1
SCHEMBL31051997 0.85 ADRB1 (0.38) ADRB1HTR6HTR1ADRD2DRD1
SCHEMBL31051719 0.82 ADRB1 (0.36) ADRB1HTR6DRD2
SCHEMBL31052145 0.79 ADRB1 (0.59) ADRB1HTR6HTR1ADRD2DRD1
SCHEMBL31052214 0.79 ADRB1 (0.63) ADRB1HTR1A
SCHEMBL31051793 0.76 DRD2 (0.46) 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