SCHEMBL7812445

SCHEMBL7812445

Cc1cc(Cc2ccc(O)cc2-c2ccc(OCC3CCC(=O)N3)cc2)ccc1CN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.49
CD274 Q9NZQ7 3/20 0.38
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
PDK2 Q15119 3/20 0.36

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
SCHEMBL7809457 0.91 F2 (0.41) F2CD274
SCHEMBL7825326 0.91 F2 (0.51) F2CD274
SCHEMBL7810102 0.87 F2 (0.49) F2ESR1ESR2
SCHEMBL7818611 0.86 F2 (0.48) F2ESR1ESR2
SCHEMBL6173568 0.85 F2 (0.71) F2ESR1ESR2
SCHEMBL6176455 0.85 F2 (0.71) F2ESR1ESR2
SCHEMBL6173563 0.85 F2 (0.71) F2ESR1ESR2
Oxalic Acid SCHEMBL6169922 0.83 F2 (0.68) F2ESR1ESR2
Oxalic Acid SCHEMBL6169916 0.83 F2 (0.68) F2ESR1ESR2
SCHEMBL7819870 0.80 PARP1 (0.41) F2ESR1ESR2

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 6 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
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