SCHEMBL31051978

SCHEMBL31051978

CCc1cc2c(c(N3CCNCC3)c1)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.55
DRD2 P14416 3/20 0.52
HTR2A P28223 3/20 0.52
DRD3 P35462 3/20 0.52
HTR1A P08908 2/20 0.52
DRD4 P21917 2/20 0.52
HTR2C P28335 2/20 0.52
HTR6 P50406 3/20 0.49
DRD1 P21728 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL31052236 0.86 ADRB1 (0.55) ADRB1DRD2HTR2ADRD3HTR1A
SCHEMBL31052134 0.86 ADRB1 (0.55) ADRB1DRD2HTR2ADRD3HTR1A
SCHEMBL31052136 0.84 DRD2 (0.51) DRD2HTR2ADRD3HTR1ADRD4
SCHEMBL31051941 0.83 ADRB1 (0.52) ADRB1DRD2HTR2ADRD3HTR1A
SCHEMBL31051735 0.83 ADRB1 (0.52) ADRB1DRD2HTR2ADRD3HTR1A
SCHEMBL31051934 0.83 HTR1A (0.43) DRD2HTR2ADRD3HTR1ADRD4
SCHEMBL31052202 0.83 ADRB1 (0.37) ADRB1DRD2HTR2ADRD3HTR1A
SCHEMBL31052145 0.81 ADRB1 (0.59) ADRB1DRD2HTR2ADRD3HTR1A
SCHEMBL16703491 0.78 ADRB1 (0.59) ADRB1DRD2HTR2ADRD3HTR1A
SCHEMBL7815929 0.78 ADRB1 (0.59) ADRB1DRD2HTR2ADRD3DRD4

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