SCHEMBL31052001

SCHEMBL31052001

ClC1(Cl)COc2c(cccc2N2CCNCC2)O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.61
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
HTR6 P50406 6/20 0.43
HTR2A P28223 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
HTR1A P08908 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NCF1 P14598 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR7 P34969 1/20 0.41
MTOR P42345 1/20 0.41
HTR3A P46098 1/20 0.41
HTR5A P47898 1/20 0.41

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
SCHEMBL31051754 0.89 ADRB1 (0.61) ADRB1DRD2DRD3HTR6HTR2A
SCHEMBL31051790 0.83 ADRB1 (0.61) ADRB1DRD2DRD3HTR6HTR2A
SCHEMBL31052189 0.83 ADRB1 (0.61) ADRB1DRD2DRD3HTR6HTR2A
SCHEMBL31052095 0.83 ADRB1 (0.61) ADRB1DRD2DRD3HTR6HTR2A
SCHEMBL31051727 0.83 ADRB1 (0.61) ADRB1DRD2DRD3HTR6HTR2A
SCHEMBL31052090 0.81 ADRB1 (0.58) ADRB1DRD2DRD3HTR6HTR2A
SCHEMBL31052227 0.80 ADRB1 (0.57) ADRB1DRD2DRD3HTR6HTR2A
SCHEMBL31051979 0.80 ADRB1 (0.57) ADRB1DRD2DRD3HTR6HTR2A
Eltoprazine SCHEMBL177715 0.76 ADRB1 (1.00) ADRB1DRD2DRD3HTR2ASIGMAR1
SCHEMBL6266386 0.76 ADRB1 (0.77) ADRB1DRD2DRD3HTR6HTR2A

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