SCHEMBL7440783

SCHEMBL7440783

CN1CCCC1CCOc1ccc(Cc2[c]cccc2OCCN2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 14/20 0.48
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
HRH3 Q9Y5N1 3/20 0.45
CHEK1 O14757 1/20 0.44
SLC2A1 P11166 1/20 0.43

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
SCHEMBL7447035 0.87 PSMB1 (0.64) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7348634 0.83 PSMB1 (0.55) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7354993 0.79 PSMB1 (0.51) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL6969448 0.78 LTA4H (0.50) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7349031 0.78 LTA4H (0.49) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL6963616 0.78 LTA4H (0.52) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL6961322 0.78 HRH1 (0.51) LTA4HPSMB1PSMB5PSMB2
SCHEMBL6956973 0.78 LTA4H (0.49) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7358989 0.77 LTA4H (0.49) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL14577948 0.77 SLC2A1 (0.54) HRH3SLC2A1

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-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed