SCHEMBL31052009

SCHEMBL31052009

Cc1ccc(N2CCNCC2)c2c1OC(C)CO2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
DRD1 P21728 1/20 0.47
HTR2A P28223 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ADRB1 P08588 4/20 0.43
HTR3A P46098 4/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
HTR7 P34969 2/20 0.39
DRD4 P21917 1/20 0.38
HTR1A P08908 3/20 0.37

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
SCHEMBL31051722 0.94 DRD2 (0.43) DRD2DRD3DRD1HTR2ASIGMAR1
SCHEMBL31051724 0.79 DRD2 (0.67) DRD2DRD3DRD1HTR2ASIGMAR1
SCHEMBL31051920 0.78 ADRB1 (0.61) DRD2DRD3DRD1HTR2ASIGMAR1
SCHEMBL31052182 0.78 ADRB1 (0.61) DRD2DRD3DRD1HTR2ASIGMAR1
SCHEMBL31051787 0.77 ADRB1 (0.38) HTR2AADRB1HTR3AHTR7HTR1A
SCHEMBL31052033 0.77 ADRB1 (0.38) HTR2AADRB1HTR3AHTR3EHTR3B
SCHEMBL31052062 0.74 HTR6 (0.42) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL31052014 0.74 HTR6 (0.42) ADRB1HTR3AHTR1A
SCHEMBL31051838 0.72 DRD2 (0.47) DRD2DRD3DRD1HTR2ASIGMAR1
SCHEMBL31052008 0.69 DRD2 (0.47) 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