SCHEMBL31052223

SCHEMBL31052223

NC1COc2c(cccc2N2CCN(N)CC2)O1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
PMP22 Q01453 1/20 0.42
ADRB1 P08588 1/20 0.41

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
SCHEMBL31052183 0.89 MAPK1 (0.42) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL31051957 0.87 HTR1A (0.41) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL31052345 0.87 HTR1A (0.44) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL31051825 0.84 HTR1A (0.41) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL31051973 0.84 ADRB1 (0.61) HTR1AALDH1A1LMNAPMP22ADRB1
SCHEMBL31052106 0.84 ALDH1A1 (0.41) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL31052020 0.77 ADRB1 (0.67) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL31051738 0.76 KCNH2 (0.44) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL31051729 0.76 ADRA1D (0.41) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL31052316 0.75 HTR1A (0.43) HTR1AALDH1A1LMNACYP3A4ALOX12

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