SCHEMBL31052228

SCHEMBL31052228

CC1CN(c2cccc3c2OCC(N)O3)CCN1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.42
HTR2C P28335 1/20 0.39
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR1A P08908 3/20 0.33
PRKCQ Q04759 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
PMP22 Q01453 1/20 0.33
CHEK1 O14757 2/20 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
SCHEMBL31051737 0.90 ADRB1 (0.42) ADRB1HTR2CALDH1A1LMNAHTR1A
SCHEMBL31051784 0.89 ADRB1 (0.43) ADRB1ALDH1A1LMNACHRNB4CHRNA3
SCHEMBL31052172 0.88 ADRB1 (0.44) ADRB1HTR2CALDH1A1LMNACHRNB4
SCHEMBL31052051 0.87 ADRB1 (0.41) ADRB1ALDH1A1LMNACHRNB4CHRNA3
SCHEMBL31052048 0.85 ADRB1 (0.42) ADRB1HTR2CALDH1A1LMNACHRNB4
SCHEMBL31051781 0.85 ADRB1 (0.42) ADRB1HTR2CALDH1A1LMNAHTR1A
SCHEMBL31052103 0.83 ADRB1 (0.40) ADRB1HTR2CHTR1A
SCHEMBL31051973 0.83 ADRB1 (0.61) ADRB1ALDH1A1LMNAHTR1APMP22
SCHEMBL31051741 0.82 ADRB1 (0.41) ADRB1ALDH1A1LMNACHRNB4CHRNA3
SCHEMBL31051951 0.81 ADRB1 (0.65) ADRB1ALDH1A1LMNAHTR1ACYP3A4

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