SCHEMBL31052071

SCHEMBL31052071

Cc1cc2c(c(N3CCNC(C)C3)c1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.41
ADRB1 P08588 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTR2C P28335 1/20 0.37
CHEK1 O14757 2/20 0.34
MAPT P10636 1/20 0.34
KHK P50053 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BCL2A1 Q16548 2/20 0.32

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
SCHEMBL31052006 0.87 ADRB1 (0.38) HTR6ADRB1ALDH1A1LMNA
SCHEMBL31051896 0.87 ADRB1 (0.38) HTR6ADRB1
SCHEMBL31052224 0.87 ADRB1 (0.38) HTR6ADRB1
SCHEMBL31052109 0.86 ADRB1 (0.40) HTR6ADRB1ALDH1A1LMNAHTR2C
SCHEMBL31052294 0.85 ALDH1A1 (0.43) HTR6ADRB1ALDH1A1LMNAHTR2C
SCHEMBL31051996 0.85 ADRB1 (0.39) HTR6ADRB1ALDH1A1LMNAHTR2C
SCHEMBL31051719 0.85 ADRB1 (0.36) HTR6ADRB1
SCHEMBL31052202 0.83 ADRB1 (0.37) HTR6ADRB1ALDH1A1LMNAHTR2C
SCHEMBL31052145 0.81 ADRB1 (0.59) HTR6ADRB1HTR2C
SCHEMBL31051951 0.80 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