SCHEMBL31052183

SCHEMBL31052183

NC1COc2cccc(N3CCN(N)CC3)c2O1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ALOX12 P18054 1/20 0.42
PMP22 Q01453 1/20 0.42
ADRB1 P08588 1/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 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
SCHEMBL31052223 0.89 HTR1A (0.42) MAPK1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31051729 0.87 ADRA1D (0.41) MAPK1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31051738 0.87 KCNH2 (0.44) MAPK1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31051866 0.84 ADRA1D (0.41) MAPK1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31052120 0.84 ALDH1A1 (0.41) MAPK1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31052190 0.84 ADRB1 (0.61) ALDH1A1LMNAHTR1APMP22ADRB1
SCHEMBL31051805 0.78 ADRB1 (0.43) MAPK1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31052020 0.77 ADRB1 (0.67) MAPK1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31052345 0.76 HTR1A (0.44) MAPK1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL31051825 0.76 HTR1A (0.41) MAPK1ALDH1A1LMNACYP3A4HTR1A

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