SCHEMBL6957263

SCHEMBL6957263

CC(C)NC(=O)CCCOc1ccc(Cc2[c]cccc2OCCN2CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
LTA4H P09960 6/20 0.45
HRH3 Q9Y5N1 11/20 0.45
HRH1 P35367 1/20 0.45
KCNH2 Q12809 1/20 0.45
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45

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
SCHEMBL6969035 0.89 LTA4H (0.47) LTA4HHRH3HRH1PSMB1PSMB5
SCHEMBL7349031 0.88 LTA4H (0.49) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6969448 0.87 LTA4H (0.50) LTA4HHRH3HRH1PSMB1PSMB5
SCHEMBL6956973 0.84 LTA4H (0.49) LTA4HHRH3HRH1PSMB1PSMB5
SCHEMBL7351952 0.84 LTA4H (0.47) ACACBLTA4HHRH3HRH1PSMB1
SCHEMBL7358989 0.84 LTA4H (0.49) ACACBLTA4HHRH3PSMB1PSMB5
SCHEMBL7447035 0.83 PSMB1 (0.64) LTA4HHRH3HRH1PSMB1PSMB5
SCHEMBL6963610 0.83 HRH3 (0.48) ACACBLTA4HHRH3HRH1PSMB1
SCHEMBL7348634 0.82 PSMB1 (0.55) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6963616 0.81 LTA4H (0.52) LTA4HHRH3HRH1PSMB1PSMB5

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