SCHEMBL31052292

SCHEMBL31052292

CC1CN(c2cccc3c2OC(Cl)CO3)CCN1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.42
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTR2C P28335 1/20 0.37
CHEK1 O14757 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CNR1 P21554 1/20 0.33
WEE1 P30291 3/20 0.33
PRKCQ Q04759 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
SCHEMBL31051781 0.90 ADRB1 (0.42) ADRB1ALDH1A1LMNAHTR2CCHEK1
SCHEMBL31052296 0.89 ADRB1 (0.43) ADRB1ALDH1A1LMNAADRA1DADRA1A
SCHEMBL31051875 0.88 ADRB1 (0.44) ADRB1ALDH1A1LMNAHTR2CCHEK1
SCHEMBL31051998 0.87 ADRB1 (0.41) ADRB1ALDH1A1LMNAADRA1DADRA1A
SCHEMBL31051737 0.85 ADRB1 (0.42) ADRB1ALDH1A1LMNAHTR2CCHEK1
SCHEMBL31051874 0.85 ADRB1 (0.42) ADRB1ALDH1A1LMNAHTR2CCHEK1
SCHEMBL31052201 0.83 ADRB1 (0.40) ADRB1HTR2CADRA1DADRA1AADRA1B
SCHEMBL31051943 0.83 ADRB1 (0.61) ADRB1ALDH1A1LMNAHTR2C
SCHEMBL31052132 0.82 ADRB1 (0.41) ADRB1ALDH1A1LMNAHTR2CADRA1D
SCHEMBL31051951 0.81 ADRB1 (0.65) ADRB1ALDH1A1LMNA

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