SCHEMBL6608306

SCHEMBL6608306

COc1cc(Cc2c(-c3ccc(OCCN4CCCC4)c(C(=O)O)c3)sc3cc(O)ccc23)ccc1CN1CCCC1.[NaH]

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.77
ESR1 P03372 3/20 0.49
ESR2 Q92731 3/20 0.49

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
SCHEMBL6608309 0.93 F2 (0.77) F2ESR1ESR2
SCHEMBL7453409 0.90 F2 (0.68) F2ESR1ESR2
SCHEMBL6594996 0.87 F2 (1.00) F2ESR1ESR2
SCHEMBL6596678 0.85 F2 (1.00) F2ESR1ESR2
SCHEMBL6592117 0.85 F2 (0.80) F2ESR1ESR2
SCHEMBL6597428 0.84 F2 (1.00) F2ESR1ESR2
SCHEMBL6634215 0.83 F2 (0.67) F2ESR1ESR2
SCHEMBL6595899 0.83 F2 (0.91) F2ESR1ESR2
SCHEMBL7985961 0.83 F2 (0.80) F2ESR1ESR2
Hydrochloric Acid SCHEMBL6608299 0.83 F2 (0.66) 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-1244655-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-02-18 EP disclosed
US-6620837-B1 1-Benzothiophene derivatives ELI LILLY AND COMPANY 2003-09-16 US disclosed
EP-1244655-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2002-10-02 EP disclosed
WO-2001036414-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2001-05-25 WO disclosed