SCHEMBL22953385

SCHEMBL22953385

Oc1c(Cl)cc2c(c1O)Cc1cncc3c1C2CNC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 0.36
DRD2 P14416 3/20 0.36
HTR2A P28223 1/20 0.35
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
DRD5 P21918 2/20 0.30
KDM4E B2RXH2 3/20 0.30
RECQL P46063 3/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
NFKB1 P19838 2/20 0.30
THPO P40225 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 2/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
MTOR P42345 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL22952969 0.85 HTR2A (0.35) DRD1DRD2HTR2A
SCHEMBL22952978 0.81 DRD1 (0.34) DRD1DRD2HTR2ASLC6A2SLC6A4
SCHEMBL22953388 0.80 HTR2A (0.43) DRD1DRD2HTR2ACYP3A4CYP2D6
SCHEMBL22953387 0.78 DRD1 (0.35) DRD1DRD2SLC6A4DRD5
SCHEMBL22952979 0.77 DRD2 (0.37) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL22952988 0.72 DRD1 (0.33) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL22952975 0.68 DRD2 (0.36) DRD1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL22952972 0.66 DRD1 (0.34) DRD1DRD2SLC6A4DRD5
SCHEMBL16938669 0.64 HTR2A (0.60) DRD1DRD2HTR2ADRD5CYP3A4
SCHEMBL3672464 0.64 HTR2A (0.60) DRD1DRD2HTR2ADRD5CYP3A4

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