SCHEMBL7820146

SCHEMBL7820146

COc1cc(Cc2ccccc2-c2ccc(OCC3COC(=O)N3)cc2)ccc1CN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.44
F2 P00734 8/20 0.42
HRH3 Q9Y5N1 2/20 0.40
KCNH2 Q12809 1/20 0.40
HTR7 P34969 1/20 0.39
S1PR1 P21453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F10 P00742 1/20 0.37
PROC P04070 1/20 0.37
CTRB1 P17538 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL7818365 0.82 S1PR1 (0.45) CD274F2HRH3KCNH2S1PR1
Oxalic Acid SCHEMBL6175630 0.81 F2 (0.56) F2
SCHEMBL7818611 0.81 F2 (0.48) F2HRH3KCNH2S1PR1
SCHEMBL7446083 0.79 F2 (0.60) CD274F2HRH3KCNH2
SCHEMBL7825326 0.77 F2 (0.51) CD274F2
SCHEMBL7817149 0.75 LTA4H (0.51) CD274F2HRH3KCNH2
SCHEMBL6172541 0.73 F2 (0.57) F2S1PR1
SCHEMBL6172781 0.72 F2 (0.70) F2
SCHEMBL7809457 0.71 F2 (0.41) CD274F2
SCHEMBL7439644 0.71 F2 (0.60) F2HRH3KCNH2

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