SCHEMBL22952972

SCHEMBL22952972

COc1ncc2c3c1Oc1c(cc(Cl)c(O)c1O)C3CNC2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.34
DRD5 P21918 2/20 0.34
DRD2 P14416 1/20 0.34
SLC6A4 P31645 4/20 0.32
HRH3 Q9Y5N1 4/20 0.32

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
SCHEMBL22952980 0.88 SLC6A4 (0.32) SLC6A4HRH3
SCHEMBL22952975 0.86 DRD2 (0.36) DRD1DRD2SLC6A4HRH3
SCHEMBL22952977 0.83 DRD1 (0.33) DRD1DRD5DRD2SLC6A4HRH3
SCHEMBL22953387 0.80 DRD1 (0.35) DRD1DRD5DRD2SLC6A4HRH3
SCHEMBL22952979 0.77 DRD2 (0.37) DRD1DRD2SLC6A4
SCHEMBL22953345 0.70 DRD1 (0.34) DRD1DRD5DRD2SLC6A4
SCHEMBL22952978 0.70 DRD1 (0.34) DRD1DRD5DRD2SLC6A4
SCHEMBL22952976 0.68 HTR2A (0.33) DRD1DRD2SLC6A4
SCHEMBL22952970 0.67 SLC6A4 (0.31) SLC6A4HRH3
SCHEMBL22953385 0.66 DRD1 (0.36) DRD1DRD5DRD2SLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021021922-A1 COMPOUNDS AND METHODS FOR TREATING FIBROTIC PATHOLOGIES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-02-04 WO disclosed