SCHEMBL31052255

SCHEMBL31052255

CC1COc2c(cccc2N2CCNC(Cl)C2)O1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.41
HTR1A P08908 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
PMP22 Q01453 1/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
CHRNB4 P30926 3/20 0.31
CHRNA3 P32297 3/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL31052132 0.91 ADRB1 (0.41) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31052172 0.89 ADRB1 (0.44) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31051991 0.88 ADRB1 (0.43) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31052003 0.86 ADRB1 (0.41) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31052084 0.86 ADRB1 (0.41) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31051741 0.86 ADRB1 (0.41) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31051930 0.84 ADRB1 (0.40) ADRB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL31051920 0.82 ADRB1 (0.61) ADRB1HTR1A
SCHEMBL31051781 0.82 ADRB1 (0.42) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31051831 0.81 ADRB1 (0.63) 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