SCHEMBL31052020

SCHEMBL31052020

NN1CCN(c2cccc3c2OCCO3)CC1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.67
HTR1A P08908 2/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
CYP3A4 P08684 1/20 0.61
ALOX12 P18054 1/20 0.61
MAPK1 P28482 1/20 0.61
PMP22 Q01453 1/20 0.61

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
SCHEMBL31051961 0.85 ADRB1 (0.69) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31052066 0.83 ADRB1 (0.67) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL13499602 0.83 ADRB1 (0.67) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31052065 0.83 ADRB1 (0.67) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31051847 0.83 ADRB1 (0.67) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL13239004 0.83 ADRB1 (0.71) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31052023 0.83 ADRB1 (0.61) ADRB1HTR1A
SCHEMBL6582931 0.81 ADRB1 (0.63) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL6173953 0.80 HTR1A (0.65) HTR1A
SCHEMBL31051769 0.80 ADRB1 (0.58) ADRB1HTR1AALDH1A1LMNACYP3A4

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