SCHEMBL6598135

SCHEMBL6598135

Cc1cc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3cc(OCc4ccccc4)ccc23)ccc1CN1CCCC1C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.61
ESR1 P03372 5/20 0.42
ESR2 Q92731 5/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6598137 1.00 F2 (0.61) F2ESR1ESR2HTTPOLB
SCHEMBL6598173 0.92 F2 (0.72) F2ESR1ESR2
SCHEMBL6598179 0.92 F2 (0.72) F2ESR1ESR2
SCHEMBL6597695 0.85 F2 (0.77) F2ESR1ESR2
SCHEMBL6598502 0.85 F2 (0.77) F2ESR1ESR2
SCHEMBL6599613 0.84 F2 (0.58) F2
SCHEMBL6599612 0.84 F2 (0.58) F2
SCHEMBL6597917 0.83 F2 (0.71) F2ESR1ESR2
SCHEMBL7413476 0.82 F2 (0.69) F2ESR1ESR2
SCHEMBL7415282 0.81 F2 (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980366-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-06-09 EP disclosed
US-6271227-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-08-07 US disclosed