SCHEMBL6594869

SCHEMBL6594869

COC[C@@H]1CCCN1Cc1ccc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3cc(OC)ccc23)cc1Br

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.65
ESR1 P03372 6/20 0.48
ESR2 Q92731 6/20 0.48

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
SCHEMBL6598344 0.92 F2 (0.66) F2ESR1ESR2
SCHEMBL6596547 0.88 F2 (0.82) F2ESR1ESR2
SCHEMBL6599186 0.85 ESR1 (0.65) ESR1ESR2
SCHEMBL6595470 0.85 F2 (0.77) F2ESR1ESR2
SCHEMBL6598826 0.84 F2 (0.75) F2ESR1ESR2
SCHEMBL7440488 0.84 F2 (0.75) F2ESR1ESR2
SCHEMBL6597496 0.83 F2 (0.69) F2ESR1ESR2
SCHEMBL6594356 0.82 F2 (0.66) F2ESR1ESR2
SCHEMBL7447379 0.82 F2 (0.67) F2ESR1ESR2
SCHEMBL7957866 0.81 F2 (0.86) 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
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed