SCHEMBL31052014

SCHEMBL31052014

Cc1cc2c(c(N3CCNCC3)c1)OC(C)CO2

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.42
ADRB1 P08588 2/20 0.37
HTR1A P08908 6/20 0.36
HTR3A P46098 6/20 0.36

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
SCHEMBL31052062 0.89 HTR6 (0.42) HTR6ADRB1HTR1AHTR3A
SCHEMBL31052182 0.80 ADRB1 (0.61) HTR6ADRB1HTR1AHTR3A
SCHEMBL31052145 0.79 ADRB1 (0.59) HTR6ADRB1HTR1AHTR3A
SCHEMBL31052009 0.74 DRD2 (0.47) ADRB1HTR1AHTR3A
SCHEMBL31051722 0.74 DRD2 (0.43) ADRB1HTR1AHTR3A
SCHEMBL31051787 0.73 ADRB1 (0.38) ADRB1HTR1AHTR3A
SCHEMBL31051920 0.71 ADRB1 (0.61) HTR6ADRB1HTR1AHTR3A
SCHEMBL31051841 0.70 HTR6 (0.41) HTR6ADRB1HTR1AHTR3A
SCHEMBL31052237 0.70 ADRB1 (0.41) HTR6ADRB1HTR1AHTR3A
SCHEMBL31052101 0.70 HTR6 (0.38) HTR6ADRB1

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