SCHEMBL6966769

SCHEMBL6966769

COc1cc(Cc2ccc(O)cc2-c2ccc(OCCN3CCCC3)cc2)ccc1CN1CCCC1=O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.58
ESR1 P03372 8/20 0.45
ESR2 Q92731 6/20 0.45

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
SCHEMBL6967074 0.90 F2 (0.56) F2ESR1ESR2
SCHEMBL6968891 0.89 MCHR1 (0.48) F2
SCHEMBL7446154 0.89 F2 (0.70) F2ESR1ESR2
SCHEMBL7421782 0.85 F2 (0.82) F2ESR1ESR2
SCHEMBL7446550 0.84 F2 (0.64) F2ESR1ESR2
SCHEMBL7346685 0.84 F2 (0.62) F2ESR1ESR2
SCHEMBL7448434 0.83 F2 (0.58) F2ESR1ESR2
Oxalic Acid SCHEMBL7407861 0.83 F2 (0.78) F2ESR1ESR2
SCHEMBL7444675 0.82 F2 (0.61) F2ESR1ESR2
SCHEMBL7438768 0.81 F2 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed