SCHEMBL31052010

SCHEMBL31052010

Nc1ccc2c(c1N1CCNCC1)OC(N)CO2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.37
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD3 P35462 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TGFBR1 P36897 1/20 0.30
ACVR1 Q04771 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL31051938 0.89 ADRB1 (0.34) ADRB1ALDH1A1LMNAHTR2AHTR2C
SCHEMBL31052247 0.79 ADRB1 (0.55) ADRB1ALDH1A1LMNAHTR2AHTR2C
SCHEMBL31051885 0.77 DRD2 (0.47) ADRB1HTR2ADRD2DRD1DRD3
SCHEMBL31052040 0.77 DRD2 (0.43) ADRB1HTR2ADRD2DRD1DRD3
SCHEMBL31052190 0.77 ADRB1 (0.61) ADRB1ALDH1A1LMNAHTR2ADRD2
SCHEMBL31052101 0.73 HTR6 (0.38) ADRB1HTR2ADRD2DRD1DRD3
SCHEMBL31052211 0.73 ADRB1 (0.37) ADRB1ALDH1A1LMNAHTR2AHTR2C
SCHEMBL31052018 0.70 HTR2C (0.42) ADRB1HTR2AHTR2CHTR2BDRD2
SCHEMBL31051787 0.70 ADRB1 (0.38) ADRB1HTR2AHTR2CHTR2B
SCHEMBL31051969 0.70 DRD2 (0.43) ADRB1HTR2AHTR2CHTR2BDRD2

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