SCHEMBL31052147

SCHEMBL31052147

Oc1cc2c(c(N3CCN(Cl)CC3)c1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.39
DRD2 P14416 4/20 0.38
DRD3 P35462 3/20 0.38
DRD1 P21728 2/20 0.38
HTR2A P28223 2/20 0.38
DRD4 P21917 1/20 0.38
ADRB1 P08588 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
PMP22 Q01453 1/20 0.36
SIGMAR1 Q99720 1/20 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
SCHEMBL31051815 0.86 DRD2 (0.39) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL31051833 0.84 DRD2 (0.38) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL31052184 0.84 DRD2 (0.55) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL31051992 0.83 HTR1A (0.50) HTR1ADRD2ADRB1ALDH1A1LMNA
SCHEMBL31051835 0.81 ADRB1 (0.59) DRD2DRD3DRD1HTR2ADRD4
SCHEMBL7815929 0.81 ADRB1 (0.59) DRD2DRD3DRD1HTR2ADRD4
SCHEMBL31051759 0.81 ADRB1 (0.38) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL7814671 0.78 DRD2 (0.61) HTR1ADRD2DRD3HTR2ADRD4
SCHEMBL7816467 0.74 USP2 (0.43) ALDH1A1LMNA
SCHEMBL31052065 0.74 ADRB1 (0.67) HTR1AADRB1ALDH1A1LMNACYP3A4

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