SCHEMBL7817149

SCHEMBL7817149

COc1cc(Cc2ccccc2-c2ccc(OCC3CCC(=O)N3)cc2)ccc1OCCN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.51
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MCHR1 Q99705 11/20 0.42
CD274 Q9NZQ7 2/20 0.40
F2 P00734 1/20 0.40
TNF P01375 1/20 0.40

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
SCHEMBL7818364 0.85 CD274 (0.43) LTA4HKCNH2HRH3MCHR1CD274
Oxalic Acid SCHEMBL6174230 0.81 F2 (0.53) LTA4HF2
Oxalic Acid SCHEMBL6174227 0.81 F2 (0.53) LTA4HF2
SCHEMBL7825326 0.79 F2 (0.51) MCHR1CD274F2
SCHEMBL7446083 0.76 F2 (0.60) LTA4HKCNH2HRH3CD274F2
SCHEMBL7809457 0.76 F2 (0.41) LTA4HCD274F2
SCHEMBL7820146 0.75 CD274 (0.44) KCNH2HRH3CD274F2
SCHEMBL7808978 0.74 LTA4H (0.45) LTA4HKCNH2HRH3TNF
SCHEMBL7349591 0.74 LTA4H (0.70) LTA4HKCNH2HRH3
SCHEMBL7812445 0.72 F2 (0.49) CD274F2

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