SCHEMBL31052013

SCHEMBL31052013

FC1Oc2cccc(N3CCNCC3)c2OC1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.59
HTR6 P50406 3/20 0.45
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
HTR7 P34969 2/20 0.45
HTR5A P47898 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
NCF1 P14598 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
MTOR P42345 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45

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
SCHEMBL31051955 0.84 ADRB1 (0.59) ADRB1HTR6HTR1AHTR2AHTR7
SCHEMBL31052158 0.83 ADRB1 (0.57) ADRB1HTR6HTR1AHTR2AHTR7
SCHEMBL31052166 0.83 ADRB1 (0.57) ADRB1HTR6HTR1AHTR2AHTR7
SCHEMBL31051870 0.83 ADRB1 (0.57) ADRB1HTR6HTR1AHTR2AHTR7
SCHEMBL31052028 0.82 ADRB1 (0.61) ADRB1HTR6HTR1AHTR2AHTR7
SCHEMBL31051795 0.82 ADRB1 (0.61) ADRB1HTR6HTR1AHTR2AHTR7
SCHEMBL31052179 0.81 ADRB1 (0.55) ADRB1HTR6HTR1AHTR2AHTR7
SCHEMBL31051973 0.80 ADRB1 (0.61) ADRB1HTR6HTR1AHTR2AHTR7
SCHEMBL31051922 0.80 ADRB1 (0.54) ADRB1HTR6HTR1AHTR2AHTR7
SCHEMBL31052190 0.80 ADRB1 (0.61) ADRB1HTR6HTR1AHTR2AHTR7

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