SCHEMBL6961402

SCHEMBL6961402

NC(=O)COc1ccc(Cc2[c]cccc2OCCN2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.48
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
HRH1 P35367 5/20 0.46
DRD1 P21728 4/20 0.46
DRD3 P35462 4/20 0.46
DRD4 P21917 3/20 0.46
DRD5 P21918 3/20 0.46
DRD2 P14416 3/20 0.46
HRH3 Q9Y5N1 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL6969448 0.91 LTA4H (0.50) LTA4HPSMB1PSMB5PSMB2HRH1
SCHEMBL6963616 0.91 LTA4H (0.52) LTA4HPSMB1PSMB5PSMB2HRH1
SCHEMBL6956973 0.90 LTA4H (0.49) LTA4HPSMB1PSMB5PSMB2HRH1
SCHEMBL7447035 0.87 PSMB1 (0.64) LTA4HPSMB1PSMB5PSMB2HRH1
SCHEMBL6957785 0.86 LTA4H (0.46) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7348634 0.85 PSMB1 (0.55) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL6963610 0.85 HRH3 (0.48) LTA4HPSMB1PSMB5PSMB2HRH1
SCHEMBL6969035 0.84 LTA4H (0.47) LTA4HPSMB1PSMB5PSMB2HRH1
SCHEMBL6961322 0.82 HRH1 (0.51) LTA4HPSMB1PSMB5PSMB2HRH1
SCHEMBL7349031 0.82 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-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