SCHEMBL31052247

SCHEMBL31052247

Nc1ccc2c(c1N1CCNCC1)OCCO2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.55
HTR2A P28223 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
DRD1 P21728 1/20 0.44
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
HTR6 P50406 2/20 0.34
ADRB2 P07550 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL31052178 0.83 ADRB1 (0.36) ADRB1ALDH1A1LMNA
SCHEMBL31052047 0.81 DRD2 (0.44) HTR2ADRD2DRD3DRD1ALDH1A1
SCHEMBL31051770 0.81 ADRB1 (0.35) ADRB1HTR2ADRD2DRD3DRD1
SCHEMBL31051827 0.81 DRD2 (0.59) ADRB1HTR2ASIGMAR1DRD2DRD3
SCHEMBL31051857 0.81 ADRB1 (0.55) ADRB1HTR2ASIGMAR1DRD2DRD3
SCHEMBL7815914 0.81 ADRB1 (0.55) ADRB1HTR2ASIGMAR1DRD2DRD3
SCHEMBL31052165 0.81 ADRB1 (0.55) ADRB1HTR2ASIGMAR1DRD2DRD3
SCHEMBL31052056 0.81 ADRB1 (0.51) ADRB1HTR2ASIGMAR1DRD2DRD3
SCHEMBL31052287 0.80 ADRB1 (0.39) ADRB1HTR2ASIGMAR1DRD2DRD3
SCHEMBL31051946 0.80 ADRB1 (0.47) ADRB1HTR2ASIGMAR1DRD2DRD3

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