SCHEMBL31051802

SCHEMBL31051802

OC1CN(c2cc(Cl)cc3c2OCCO3)CCN1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.46
ADRB1 P08588 1/20 0.38
HTR6 P50406 5/20 0.34
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAP3K14 Q99558 1/20 0.31
CHEK1 O14757 1/20 0.30

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
SCHEMBL31052294 0.86 ALDH1A1 (0.43) HTR1AADRB1HTR6ALDH1A1LMNA
SCHEMBL31051888 0.86 ADRB1 (0.39) HTR1AADRB1DRD2DRD1HTR2A
SCHEMBL31052074 0.86 HTR1A (0.42) HTR1AADRB1HTR6DRD2DRD1
SCHEMBL31051997 0.85 ADRB1 (0.38) HTR1AADRB1HTR6DRD2DRD1
SCHEMBL31052224 0.85 ADRB1 (0.38) HTR1AADRB1HTR6DRD2DRD1
SCHEMBL1455855 0.79 ADRB1 (0.59) HTR1AADRB1HTR6DRD2DRD1
SCHEMBL31052214 0.79 ADRB1 (0.63) HTR1AADRB1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL4171025 0.78 ADRB1 (0.57) HTR1AADRB1HTR6DRD2DRD1
SCHEMBL31052082 0.76 DRD2 (0.46) ADRB1HTR6DRD2DRD1HTR2A
SCHEMBL31051780 0.74 ADRB1 (0.38) HTR1AADRB1DRD2DRD1HTR2A

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