SCHEMBL31051963

SCHEMBL31051963

CC1CN(c2c(N)ccc3c2OCCO3)CCN1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.39
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTR2C P28335 1/20 0.34
CHEK1 O14757 2/20 0.34
HDAC1 Q13547 1/20 0.34
PRKCQ Q04759 2/20 0.32
KIT P10721 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
BCL2A1 Q16548 2/20 0.31
MAPT P10636 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KHK P50053 1/20 0.31

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
SCHEMBL31052287 0.87 ADRB1 (0.39) ADRB1DRD2DRD1HTR2ADRD3
SCHEMBL31051792 0.86 ADRB1 (0.38) ADRB1DRD2DRD1HTR2ADRD3
SCHEMBL31051789 0.85 ADRB1 (0.40) ADRB1ALDH1A1LMNAHTR2CCHEK1
SCHEMBL31051933 0.84 DRD2 (0.42) ADRB1ALDH1A1LMNAHTR2CCHEK1
SCHEMBL31051949 0.84 BCL2A1 (0.40) ADRB1ALDH1A1LMNAHTR2CCHEK1
SCHEMBL31052293 0.82 ADRB1 (0.37) ADRB1ALDH1A1LMNAHTR2CCHEK1
SCHEMBL31052247 0.80 ADRB1 (0.55) ADRB1ALDH1A1LMNAHTR2CMAPT
SCHEMBL31052092 0.78 ALDH1A1 (0.44) ADRB1ALDH1A1LMNAHTR2CCHEK1
SCHEMBL31051951 0.76 ADRB1 (0.65) ADRB1ALDH1A1LMNA
SCHEMBL31052047 0.75 DRD2 (0.44) ALDH1A1MAPTDRD2DRD1HTR2A

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