SCHEMBL7825326

SCHEMBL7825326

COc1cc(Cc2ccc(O)cc2-c2ccc(OCC3CCC(=O)N3)cc2)ccc1CN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.51
CD274 Q9NZQ7 2/20 0.39
PDCD1 Q15116 1/20 0.39
MCHR1 Q99705 1/20 0.38
ABCB1 P08183 2/20 0.37
ABCC1 P33527 2/20 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
SCHEMBL7812445 0.91 F2 (0.49) F2CD274
SCHEMBL7809457 0.85 F2 (0.41) F2CD274PDCD1
Oxalic Acid SCHEMBL6173306 0.84 F2 (0.68) F2
Oxalic Acid SCHEMBL6173301 0.84 F2 (0.68) F2
SCHEMBL7346685 0.82 F2 (0.62) F2CD274
SCHEMBL7446154 0.81 F2 (0.70) F2
SCHEMBL7353180 0.80 F2 (0.54) F2CD274MCHR1
SCHEMBL7438768 0.80 F2 (0.71) F2CD274
SCHEMBL7810102 0.79 F2 (0.49) F2
SCHEMBL7817149 0.79 LTA4H (0.51) F2CD274MCHR1

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