SCHEMBL31052124

SCHEMBL31052124

OCCC1CNCCN1c1cccc2c1OCCO2

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.54
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL31052261 0.90 ADRB1 (0.60) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31051783 0.88 ADRB1 (0.54) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31052121 0.85 ADRB1 (0.57) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31052061 0.85 ADRB1 (0.57) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31051976 0.82 ADRB1 (0.59) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31051734 0.80 ADRB1 (0.59) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31051771 0.80 ADRB1 (0.59) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31051731 0.80 ADRB1 (0.59) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31052043 0.80 ADRB1 (0.59) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL7677611 0.79 ADRB1 (0.45) 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