SCHEMBL7819938

SCHEMBL7819938

Cc1cc(Cc2[c]cc(O)cc2OCC2COC(=O)N2)ccc1CN1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.37
IRAK4 Q9NWZ3 4/20 0.34
S1PR1 P21453 5/20 0.33
MAOB P27338 3/20 0.33
ACHE P22303 2/20 0.33
HRH3 Q9Y5N1 2/20 0.32
CACNA1C Q13936 3/20 0.32
SCN5A Q14524 3/20 0.32
KCNH2 Q12809 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL7818690 0.88 S1PR1 (0.39) S1PR1MAOBACHEHRH3
SCHEMBL7818611 0.78 F2 (0.48) F2S1PR1MAOBACHEHRH3
SCHEMBL7820796 0.77 HPGD (0.44) F2ACHEHRH3KDM4E
SCHEMBL7831868 0.77 F2 (0.41) F2HRH3KDM4E
SCHEMBL7830154 0.76 IRAK4 (0.35) F2IRAK4MAPK1
SCHEMBL6172781 0.74 F2 (0.70) F2
Oxalic Acid SCHEMBL6173931 0.73 F2 (0.67) F2
SCHEMBL7818365 0.73 S1PR1 (0.45) F2S1PR1MAOBACHEHRH3
SCHEMBL6960955 0.73 F2 (0.42) F2HRH3KDM4EMAPK1
SCHEMBL7817381 0.69 PARP1 (0.34) F2HRH3KDM4EMAPK1

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 claimed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP claimed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO claimed