SCHEMBL8773767

SCHEMBL8773767

[CH2]CNCCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
DRD4 P21917 3/20 0.57
GAA P10253 1/20 0.56
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53

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
SCHEMBL8773760 0.95 LTA4H (0.65) LTA4HL3MBTL1DRD4DRD2DRD3
SCHEMBL429857 0.86 DRD4 (0.70) DRD4GAADRD2DRD3
SCHEMBL9269886 0.85 DRD4 (0.80) LTA4HL3MBTL1DRD4GAADRD2
SCHEMBL20251326 0.81 L3MBTL1 (0.81) LTA4HL3MBTL1
SCHEMBL9330561 0.80 DRD4 (0.74) DRD4GAADRD2DRD3
SCHEMBL6468896 0.80 LTA4H (0.67) LTA4HL3MBTL1
SCHEMBL8672820 0.78 LTA4H (0.74) LTA4HL3MBTL1
SCHEMBL2091073 0.76 LTA4H (0.60) LTA4HL3MBTL1
SCHEMBL10829174 0.74 LTA4H (0.68) LTA4HL3MBTL1
SCHEMBL27836493 0.74 LTA4H (0.63) LTA4HL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed