SCHEMBL31051789

SCHEMBL31051789

Cc1ccc2c(c1N1CCNC(C)C1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.40
HTR2C P28335 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2B P41595 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KHK P50053 1/20 0.33
KIT P10721 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CHEK1 O14757 2/20 0.33
BCL2A1 Q16548 2/20 0.32
MAPT P10636 2/20 0.32
DRD2 P14416 1/20 0.31
DRD1 P21728 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
SCHEMBL31051800 0.87 ADRB1 (0.38) ADRB1HTR2CHTR2AHTR2BNISCH
SCHEMBL31051794 0.87 ADRB1 (0.38) ADRB1HTR2CHTR2AHTR2BNISCH
SCHEMBL31052016 0.87 ADRB1 (0.38) ADRB1HTR2CHTR2AHTR2BNISCH
SCHEMBL31052293 0.86 ADRB1 (0.37) ADRB1HTR2CHTR2BALDH1A1LMNA
SCHEMBL31051949 0.85 BCL2A1 (0.40) ADRB1HTR2CHTR2AHTR2BALDH1A1
SCHEMBL31051963 0.85 ADRB1 (0.39) ADRB1HTR2CHTR2AALDH1A1LMNA
SCHEMBL31051933 0.85 DRD2 (0.42) ADRB1HTR2CHTR2AALDH1A1LMNA
SCHEMBL31051758 0.85 ADRB1 (0.36) ADRB1HTR2CHTR2AHTR2BNISCH
SCHEMBL31052165 0.81 ADRB1 (0.55) ADRB1HTR2CHTR2AHTR2BMAPT
SCHEMBL31051749 0.78 DRD2 (0.44) ADRB1HTR2CHTR2AHTR2BALDH1A1

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