SCHEMBL22953389

SCHEMBL22953389

COc1ncc2c3c1Cc1c(ccc(O)c1O)C3CNC2

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
PARP1 P09874 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34

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
SCHEMBL22953390 0.85 HTR2A (0.36) HTR2APARP1DRD1
SCHEMBL22952970 0.83 SLC6A4 (0.31)
SCHEMBL22953387 0.83 DRD1 (0.35) DRD1DRD5
SCHEMBL22952977 0.79 DRD1 (0.33) HTR2APARP1DRD1DRD5
SCHEMBL22953388 0.77 HTR2A (0.43) HTR2APARP1DRD1
SCHEMBL22952987 0.74 PARP1 (0.41) HTR2APARP1DRD1DRD5
SCHEMBL16938669 0.73 HTR2A (0.60) HTR2APARP1DRD1DRD5
SCHEMBL29383346 0.73 HTR2A (0.60) HTR2APARP1DRD1DRD5
SCHEMBL3672464 0.73 HTR2A (0.60) HTR2APARP1DRD1DRD5
SCHEMBL3670524 0.73 HTR2A (0.60) HTR2APARP1DRD1DRD5

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