SCHEMBL31052016

SCHEMBL31052016

Cc1ccc2c(c1N1CCNC(Cl)C1)OCCO2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.38
NISCH Q9Y2I1 1/20 0.34
HTR2A P28223 3/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD3 P35462 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL31051789 0.87 ADRB1 (0.40) ADRB1NISCHHTR2AHTR2CHTR2B
SCHEMBL31051761 0.86 ADRB1 (0.39) ADRB1HTR2AHTR2CHTR2BDRD2
SCHEMBL31052229 0.85 DRD2 (0.41) ADRB1HTR2AHTR2CHTR2BDRD2
SCHEMBL31051800 0.85 ADRB1 (0.38) ADRB1NISCHHTR2AHTR2CHTR2B
SCHEMBL31051794 0.85 ADRB1 (0.38) ADRB1NISCHHTR2AHTR2CHTR2B
SCHEMBL31051758 0.82 ADRB1 (0.36) ADRB1NISCHHTR2AHTR2CHTR2B
SCHEMBL31052165 0.79 ADRB1 (0.55) ADRB1HTR2AHTR2CHTR2BDRD2
SCHEMBL31051970 0.79 DRD2 (0.43) ADRB1HTR2AHTR2CDRD2DRD1
SCHEMBL31051831 0.76 ADRB1 (0.63) ADRB1
SCHEMBL31051750 0.74 MAPT (0.39) ADRB1NPC1MAPTHTTRAB9A

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