SCHEMBL31052017

SCHEMBL31052017

Fc1ccc(N2CCN(F)CC2)c2c1OCCO2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
DRD1 P21728 2/20 0.49
HTR2A P28223 2/20 0.49
DRD4 P21917 1/20 0.49
SIGMAR1 Q99720 1/20 0.45
ADRB1 P08588 1/20 0.38
HTR1A P08908 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL31051863 0.83 DRD2 (0.67) DRD2DRD3DRD1HTR2ADRD4
SCHEMBL31051954 0.74 ADRB1 (0.37) DRD2DRD3DRD4ADRB1HTR1A
SCHEMBL31051961 0.74 ADRB1 (0.69) ADRB1HTR1AALDH1A1LMNACYP3A4
SCHEMBL31051929 0.73 DRD2 (0.44) DRD2DRD3DRD1HTR2ADRD4
SCHEMBL31051909 0.70 DRD2 (0.69) DRD2DRD3DRD1HTR2ADRD4
SCHEMBL31051892 0.69 DRD2 (0.50) DRD2DRD3DRD1HTR2ADRD4
SCHEMBL31051720 0.69 DRD2 (0.54) DRD2DRD3DRD1HTR2ADRD4
SCHEMBL31052173 0.69 HTR1A (0.43) DRD2DRD3HTR2ADRD4ADRB1
SCHEMBL31051785 0.69 DRD2 (0.50) DRD2DRD3DRD1HTR2ADRD4
SCHEMBL31051944 0.67 DRD2 (0.47) DRD2DRD3DRD1HTR2ADRD4

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