SCHEMBL31051908

SCHEMBL31051908

NCc1cc2c(c(N3CCN(CN)CC3)c1)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL31052134 0.83 ADRB1 (0.55) HTR1ADRD2
SCHEMBL31051899 0.77 HTR1A (0.43) HTR1ADRD2
SCHEMBL31051934 0.77 HTR1A (0.43) HTR1ADRD2
SCHEMBL31052023 0.77 ADRB1 (0.61) HTR1A
SCHEMBL31052031 0.73 ADRB1 (0.36)
SCHEMBL31052136 0.72 DRD2 (0.51) HTR1ADRD2
SCHEMBL31051735 0.72 ADRB1 (0.52) HTR1ADRD2
SCHEMBL31051940 0.71 DRD2 (0.48) HTR1ADRD2
SCHEMBL31052163 0.70 NPC1 (0.43) HTR1ADRD2
SCHEMBL7818467 0.69 HTR1A (0.47) HTR1ADRD2

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