SCHEMBL31052248

SCHEMBL31052248

Nc1cc2c(c(N3CCN(N)CC3)c1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.39
HTR1A P08908 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
PMP22 Q01453 1/20 0.37
DRD2 P14416 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL31052049 0.86 ADRB1 (0.38) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31051911 0.86 DRD2 (0.48) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31051842 0.83 ADRB1 (0.59) ADRB1DRD2
SCHEMBL31051833 0.83 DRD2 (0.38) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31052285 0.83 ADRB1 (0.38) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31052020 0.75 ADRB1 (0.67) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31051788 0.73 ADRB1 (0.39) ADRB1DRD2
SCHEMBL31051944 0.70 DRD2 (0.47) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31052173 0.69 HTR1A (0.43) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL6972009 0.67 DRD2 (0.44) ALDH1A1MAPK1DRD2KDM4EGAA

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