SCHEMBL31052152

SCHEMBL31052152

FC1CN(c2cccc3c2OC(F)CO3)CCN1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.43
ADRA1D P25100 3/20 0.36
ADRA1A P35348 3/20 0.36
ADRA1B P35368 3/20 0.36
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
ALOX12 P18054 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL31051764 0.91 ADRB1 (0.44) ADRB1ADRA1DADRA1AADRA1BMAPK1
SCHEMBL31052028 0.84 ADRB1 (0.61) ADRB1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL31051821 0.83 ADRB1 (0.63) ADRB1MAPK1ALDH1A1LMNACYP3A4
SCHEMBL31052191 0.79 MAPK1 (0.43) ADRB1ADRA1DADRA1AADRA1BMAPK1
SCHEMBL31051805 0.78 ADRB1 (0.43) ADRB1ADRA1DADRA1AADRA1BMAPK1
SCHEMBL31051737 0.77 ADRB1 (0.42) ADRB1ADRA1DADRA1AADRA1BMAPK1
SCHEMBL31051795 0.76 ADRB1 (0.61) ADRB1ALDH1A1LMNAHTR1APMP22
SCHEMBL31051875 0.76 ADRB1 (0.44) ADRB1ADRA1DADRA1AADRA1BMAPK1
SCHEMBL31051716 0.76 ADRB1 (0.41) ADRB1ADRA1DADRA1AADRA1BMAPK1
SCHEMBL31051772 0.75 ADRB1 (0.43) ADRB1ADRA1DADRA1AADRA1BMAPK1

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