SCHEMBL6967272

SCHEMBL6967272

O=C(c1ccc(O)cc1)c1[c]cccc1OCCN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.56
DRD1 P21728 2/20 0.56
DRD3 P35462 2/20 0.56
PSMB1 P20618 1/20 0.52
PSMB5 P28074 1/20 0.52
PSMB2 P49721 1/20 0.52
LTA4H P09960 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ESR1 P03372 11/20 0.47
ESR2 Q92731 10/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 2/20 0.46
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL7440055 0.89 PSMB1 (0.68) DRD2DRD1DRD3PSMB1PSMB5
SCHEMBL7346853 0.84 PSMB1 (0.54) DRD2DRD1DRD3PSMB1PSMB5
SCHEMBL6966422 0.79 L3MBTL1 (0.53) DRD2DRD1DRD3PSMB1PSMB5
SCHEMBL6968065 0.78 TDP1 (0.55) DRD2DRD1DRD3MEN1KMT2A
SCHEMBL6961322 0.77 HRH1 (0.51) DRD2DRD1DRD3PSMB1PSMB5
SCHEMBL23038800 0.72 TSHR (0.61) DRD2DRD1DRD3LTA4HSMN1; SMN2
SCHEMBL6597214 0.70 PSMB1 (0.97) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL7451698 0.70 POLB (0.58) DRD2DRD1DRD3LTA4HMEN1
SCHEMBL7352552 0.69 LTA4H (0.65) DRD2DRD1DRD3PSMB1PSMB5
SCHEMBL28380360 0.69 LTA4H (1.00) DRD2DRD1DRD3PSMB1PSMB5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed