SCHEMBL7819641

SCHEMBL7819641

O=C1CCC(COc2ccc[c]c2Cc2ccc(OCCN3CCCC3)cc2)N1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.46
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
TNF P01375 1/20 0.45
HRH3 Q9Y5N1 5/20 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 0.82 PSMB1 (0.64) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7348634 0.78 PSMB1 (0.55) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7440783 0.77 LTA4H (0.48) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL6969448 0.76 LTA4H (0.50) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL6963616 0.76 LTA4H (0.52) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7818364 0.76 CD274 (0.43) LTA4HPSMB1PSMB5PSMB2TNF
SCHEMBL6956973 0.76 LTA4H (0.49) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL6961402 0.75 LTA4H (0.48) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7354993 0.75 PSMB1 (0.51) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7349031 0.74 LTA4H (0.49) LTA4HPSMB1PSMB5PSMB2HRH3

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-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed