SCHEMBL22952969

SCHEMBL22952969

Oc1c(Br)cc2c(c1O)Cc1cncc3c1C2CNC3

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
DRD2 P14416 1/20 0.30
DRD1 P21728 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
SCHEMBL22953385 0.85 DRD1 (0.36) HTR2ADRD2DRD1
SCHEMBL22953388 0.80 HTR2A (0.43) HTR2ADRD2DRD1
SCHEMBL22952974 0.77 DRD2 (0.30) DRD2DRD1
SCHEMBL22952984 0.72 DRD2 (0.32) HTR2ADRD2DRD1
SCHEMBL22952978 0.67 DRD1 (0.34) HTR2ADRD2DRD1
SCHEMBL22953387 0.65 DRD1 (0.35) DRD2DRD1
SCHEMBL22952970 0.65 SLC6A4 (0.31)
SCHEMBL16938669 0.64 HTR2A (0.60) HTR2ADRD2DRD1
SCHEMBL3672464 0.64 HTR2A (0.60) HTR2ADRD2DRD1
SCHEMBL29383346 0.64 HTR2A (0.60) HTR2ADRD2DRD1

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