SCHEMBL6592131

SCHEMBL6592131

COc1cc(-c2sc3cc(O)ccc3c2-c2ccc(CN3CCCC3)c(C)c2C)ccc1OCCN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.58
ESR1 P03372 8/20 0.51
ESR2 Q92731 6/20 0.51

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
SCHEMBL6596204 0.88 F2 (0.55) F2ESR1ESR2
SCHEMBL6592117 0.81 F2 (0.80) F2ESR1ESR2
SCHEMBL6599563 0.81 ESR1 (0.63) F2ESR1ESR2
SCHEMBL6595330 0.74 ESR1 (0.67) F2ESR1ESR2
SCHEMBL6593858 0.74 F2 (0.82) F2ESR1ESR2
SCHEMBL6597602 0.74 F2 (0.81) F2ESR1ESR2
SCHEMBL6596053 0.73 ESR1 (0.79) F2ESR1ESR2
SCHEMBL6594996 0.73 F2 (1.00) F2ESR1ESR2
SCHEMBL7107455 0.73 ESR1 (0.85) F2ESR1ESR2
SCHEMBL6608306 0.73 F2 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863755-B1 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 2004-12-15 EP disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed