SCHEMBL31052294

SCHEMBL31052294

CC1CN(c2cc(Cl)cc3c2OCCO3)CCN1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTR1A P08908 1/20 0.42
ADRB1 P08588 1/20 0.39
HTR6 P50406 4/20 0.38
HTR2C P28335 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
BCL2A1 Q16548 2/20 0.36
CHEK1 O14757 2/20 0.35
XIAP P98170 2/20 0.35
BIRC2 Q13490 2/20 0.35

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
SCHEMBL31052074 0.87 HTR1A (0.42) ALDH1A1LMNAHTR1AADRB1HTR6
SCHEMBL31051802 0.86 HTR1A (0.46) ALDH1A1LMNAHTR1AADRB1HTR6
SCHEMBL31052071 0.85 HTR6 (0.41) ALDH1A1LMNAADRB1HTR6HTR2C
SCHEMBL31052109 0.85 ADRB1 (0.40) ALDH1A1LMNAHTR1AADRB1HTR6
SCHEMBL31051996 0.84 ADRB1 (0.39) ALDH1A1LMNAADRB1HTR6HTR2C
SCHEMBL31052202 0.82 ADRB1 (0.37) ALDH1A1LMNAHTR1AADRB1HTR6
SCHEMBL1455855 0.80 ADRB1 (0.59) HTR1AADRB1HTR6
Hydrochloric Acid SCHEMBL4171025 0.79 ADRB1 (0.57) HTR1AADRB1HTR6
SCHEMBL31051951 0.78 ADRB1 (0.65) ALDH1A1LMNAHTR1AADRB1
SCHEMBL31052045 0.76 ALDH1A1 (0.50) ALDH1A1LMNAADRB1HTR6HTR2C

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