SCHEMBL6963610

SCHEMBL6963610

CC(CCOc1ccc(Cc2[c]cccc2OCCN2CCCC2)cc1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.48
HRH1 P35367 1/20 0.48
LTA4H P09960 12/20 0.46
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
ACACB O00763 1/20 0.44
HTT P42858 1/20 0.42

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
SCHEMBL7358989 0.92 LTA4H (0.49) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL7351952 0.90 LTA4H (0.47) HRH3HRH1LTA4HPSMB1PSMB5
SCHEMBL6969448 0.86 LTA4H (0.50) HRH3HRH1LTA4HPSMB1PSMB5
SCHEMBL6956973 0.85 LTA4H (0.49) HRH3HRH1LTA4HPSMB1PSMB5
SCHEMBL6961402 0.85 LTA4H (0.48) HRH3HRH1LTA4HPSMB1PSMB5
SCHEMBL7447035 0.84 PSMB1 (0.64) HRH3HRH1LTA4HPSMB1PSMB5
SCHEMBL6957263 0.83 ACACB (0.45) HRH3HRH1LTA4HPSMB1PSMB5
SCHEMBL7348634 0.82 PSMB1 (0.55) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL6963616 0.82 LTA4H (0.52) HRH3HRH1LTA4HPSMB1PSMB5
SCHEMBL7349031 0.81 LTA4H (0.49) HRH3LTA4HPSMB1PSMB5PSMB2

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