SCHEMBL31052136

SCHEMBL31052136

CCc1cc2c(c(N3CCN(C)CC3)c1)OCCO2

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.51
HTR1A P08908 5/20 0.51
DRD3 P35462 4/20 0.51
DRD4 P21917 3/20 0.51
HTR2A P28223 3/20 0.51
HTR2C P28335 2/20 0.51
DRD1 P21728 1/20 0.46
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL31051934 0.87 HTR1A (0.43) DRD2HTR1ADRD3DRD4HTR2A
SCHEMBL31051978 0.84 ADRB1 (0.55) DRD2HTR1ADRD3DRD4HTR2A
SCHEMBL31052231 0.80 DRD2 (0.49) DRD2HTR1ADRD3DRD4HTR2A
SCHEMBL31052184 0.79 DRD2 (0.55) DRD2HTR1ADRD3DRD4HTR2A
SCHEMBL31051911 0.79 DRD2 (0.48) DRD2HTR1ADRD3DRD4HTR2A
SCHEMBL31052148 0.79 HTR1A (0.52) DRD2HTR1ADRD3DRD4HTR2A
SCHEMBL31052202 0.76 ADRB1 (0.37) DRD2HTR1ADRD3DRD4HTR2A
SCHEMBL31051908 0.72 HTR1A (0.43) DRD2HTR1A
SCHEMBL31051899 0.72 HTR1A (0.43) DRD2HTR1A
SCHEMBL13499602 0.72 ADRB1 (0.67) DRD2HTR1ADRD3DRD4HTR2A

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