SCHEMBL7772244

SCHEMBL7772244

COc1cc(Cc2c(-c3ccc(OCCN4CCC[C@H]4CO)cc3)sc3cc(O)ccc23)ccc1CN1CCOCC1

nearest known ligand 0.90

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.90
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43

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
SCHEMBL7772238 1.00 F2 (0.90) F2ESR1ESR2
SCHEMBL7775924 0.95 F2 (1.00) F2ESR1ESR2
SCHEMBL7775919 0.95 F2 (1.00) F2ESR1ESR2
SCHEMBL7774213 0.92 F2 (0.76) F2
SCHEMBL7774216 0.92 F2 (0.76) F2
SCHEMBL6596480 0.90 F2 (0.72) F2ESR1ESR2
SCHEMBL6596472 0.90 F2 (0.72) F2ESR1ESR2
SCHEMBL6595899 0.88 F2 (0.91) F2ESR1ESR2
SCHEMBL6597583 0.87 F2 (0.69) F2ESR1ESR2
SCHEMBL6597585 0.87 F2 (0.69) 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
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