SCHEMBL31052145

SCHEMBL31052145

Cc1cc2c(c(N3CCNCC3)c1)OCCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.59
HTR6 P50406 5/20 0.52
HTR2A P28223 2/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD3 P35462 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR1A P08908 8/20 0.43
HTR3A P46098 8/20 0.43
CYP1A2 P05177 1/20 0.39
ADRB2 P07550 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGS1 P23219 1/20 0.39
HRH2 P25021 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 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
SCHEMBL31052231 0.83 DRD2 (0.49) ADRB1HTR2ADRD2DRD1DRD3
SCHEMBL31052071 0.81 HTR6 (0.41) ADRB1HTR6HTR2C
SCHEMBL31052204 0.81 DRD2 (0.38) ADRB1HTR6HTR2ADRD2DRD1
SCHEMBL31052285 0.81 ADRB1 (0.38) ADRB1HTR6HTR2ADRD2DRD1
SCHEMBL31051759 0.81 ADRB1 (0.38) ADRB1HTR6HTR2ADRD2DRD1
SCHEMBL1455855 0.81 ADRB1 (0.59) ADRB1HTR6HTR2ADRD2DRD1
SCHEMBL16703491 0.81 ADRB1 (0.59) ADRB1HTR6HTR2ADRD2DRD1
SCHEMBL7808439 0.81 ADRB1 (0.59) ADRB1HTR6HTR2ADRD2DRD1
SCHEMBL7815929 0.81 ADRB1 (0.59) ADRB1HTR6HTR2ADRD2DRD1
SCHEMBL31051835 0.81 ADRB1 (0.59) ADRB1HTR6HTR2ADRD2DRD1

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