SCHEMBL31052103

SCHEMBL31052103

CCC1COc2c(cccc2N2CCNC(C)C2)O1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.40
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
HTR1A P08908 2/20 0.38
HTR2C P28335 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 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
SCHEMBL31052201 0.91 ADRB1 (0.40) ADRB1ADRA1DADRA1AADRA1BHTR2C
SCHEMBL31052025 0.90 ADRB1 (0.40) ADRB1ADRA1DADRA1AADRA1BHTR1A
SCHEMBL31052172 0.85 ADRB1 (0.44) ADRB1ADRA1DADRA1AADRA1BHTR1A
SCHEMBL31051873 0.85 ADRB1 (0.57) ADRB1ADRA1DADRA1AADRA1BHTR1A
SCHEMBL31052228 0.83 ADRB1 (0.42) ADRB1HTR1AHTR2C
SCHEMBL31051781 0.83 ADRB1 (0.42) ADRB1HTR1AHTR2C
SCHEMBL31052048 0.83 ADRB1 (0.42) ADRB1ADRA1DADRA1AADRA1BHTR1A
SCHEMBL31051947 0.81 ADRB1 (0.40) ADRB1ADRA1DADRA1AADRA1BADRA2A
SCHEMBL31052239 0.79 HTR1A (0.47) ADRA1DADRA1AADRA1BHTR1AADRA2A
SCHEMBL31051951 0.79 ADRB1 (0.65) ADRB1HTR1A

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