SCHEMBL6172843

SCHEMBL6172843

COc1cc(Cc2c(-c3ccc(OCC(N)=O)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.80
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
SCHEMBL7985961 0.93 F2 (0.80) F2ESR1ESR2
SCHEMBL7983358 0.92 F2 (0.79) F2ESR1ESR2
SCHEMBL6172241 0.90 F2 (0.66) F2
SCHEMBL7452488 0.89 F2 (1.00) F2ESR1ESR2
SCHEMBL7986006 0.89 F2 (0.89) F2ESR1ESR2
SCHEMBL6594996 0.88 F2 (1.00) F2ESR1ESR2
SCHEMBL7989322 0.88 F2 (0.81) F2ESR1ESR2
SCHEMBL7444827 0.87 F2 (0.80) F2ESR1ESR2
SCHEMBL7990712 0.87 F2 (0.80) F2ESR1ESR2
SCHEMBL6173229 0.87 F2 (0.87) 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-1027051-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-01-05 EP disclosed
US-6391901-B1 Thrombin inhibitors ELI LILLY AND COMPANY 2002-05-21 US disclosed