SCHEMBL31052201

SCHEMBL31052201

CCC1COc2cccc(N3CCNC(C)C3)c2O1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.40
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
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
SCHEMBL31052103 0.91 ADRB1 (0.40) ADRB1ADRA1DADRA1AADRA1BHTR2C
SCHEMBL31051947 0.90 ADRB1 (0.40) ADRB1ADRA1DADRA1AADRA1BADRA2A
SCHEMBL31051875 0.85 ADRB1 (0.44) ADRB1ADRA1DADRA1AADRA1BHTR2C
SCHEMBL31052030 0.85 ADRB1 (0.57) ADRB1ADRA1DADRA1AADRA1BHTR2C
SCHEMBL31051737 0.83 ADRB1 (0.42) ADRB1ADRA1DADRA1AADRA1BHTR2C
SCHEMBL31051874 0.83 ADRB1 (0.42) ADRB1ADRA1DADRA1AADRA1BHTR2C
SCHEMBL31052292 0.83 ADRB1 (0.42) ADRB1ADRA1DADRA1AADRA1BHTR2C
SCHEMBL31052057 0.81 ADRB1 (0.40) ADRB1ADRA1DADRA1AADRA1B
SCHEMBL31052025 0.81 ADRB1 (0.40) ADRB1ADRA1DADRA1AADRA1BADRA2A
SCHEMBL31051951 0.79 ADRB1 (0.65) ADRB1

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