SCHEMBL9879349

SCHEMBL9879349

N#CN1CC2COc3ccccc3C2N1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.41
DRD3 P35462 12/20 0.41
HTR2B P41595 4/20 0.34
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
LTA4H P09960 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9878579 0.80 DRD2 (0.41) DRD2DRD3HTR2BLTB4RLTB4R2
SCHEMBL8635112 0.69 DRD2 (0.40) DRD2DRD3HTR2B
SCHEMBL14059506 0.67 GAA (0.56) DRD2DRD3HTR2BLTB4RLTB4R2
SCHEMBL4524534 0.64 IMPDH2 (0.41) DRD2DRD3LTB4RLTB4R2LTA4H
SCHEMBL13825739 0.62 DRD2 (0.53) DRD2DRD3HTR2BLTB4RLTB4R2
SCHEMBL8231800 0.62 DRD2 (0.53) DRD2DRD3HTR2BLTB4RLTB4R2
SCHEMBL8229208 0.62 DRD2 (0.53) DRD2DRD3HTR2BLTB4RLTB4R2
SCHEMBL8232785 0.62 DRD2 (0.53) DRD2DRD3HTR2BLTB4RLTB4R2
SCHEMBL8228508 0.62 DRD2 (0.53) DRD2DRD3HTR2BLTB4RLTB4R2
SCHEMBL4445356 0.62 MAPT (0.37) DRD2DRD3HTR2BLTB4RLTB4R2

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-1991012255-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-22 WO disclosed