SCHEMBL22952978

SCHEMBL22952978

Cc1ncc2c3c1Cc1c(cc(Cl)c(O)c1O)C3CNC2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.34
DRD2 P14416 1/20 0.34
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HTR2A P28223 1/20 0.30
DRD5 P21918 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
SCHEMBL22953387 0.86 DRD1 (0.35) DRD1DRD2SLC6A4DRD5
SCHEMBL22953390 0.81 HTR2A (0.36) DRD1DRD2HTR2A
SCHEMBL22953385 0.81 DRD1 (0.36) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL22952975 0.79 DRD2 (0.36) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL22952988 0.75 DRD1 (0.33) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL22952970 0.73 SLC6A4 (0.31) SLC6A4
SCHEMBL22952972 0.70 DRD1 (0.34) DRD1DRD2SLC6A4DRD5
SCHEMBL22953389 0.67 HTR2A (0.34) DRD1HTR2ADRD5
SCHEMBL22952969 0.67 HTR2A (0.35) DRD1DRD2HTR2A
SCHEMBL22952979 0.67 DRD2 (0.37) DRD1DRD2SLC6A2SLC6A4SLC6A3

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