SCHEMBL6174701

SCHEMBL6174701

CNC(=O)Nc1ccc(-c2sc3cc(O)ccc3c2Cc2ccc(CN3CCCC3)c(OC)c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.83
ABCB1 P08183 1/20 0.44
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42

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
SCHEMBL7773967 0.91 F2 (1.00) F2ESR1ESR2
SCHEMBL7768160 0.89 F2 (1.00) F2ESR1ESR2
SCHEMBL7986331 0.88 F2 (0.79) F2ESR1ESR2
SCHEMBL7986323 0.88 F2 (0.79) F2ESR1ESR2
SCHEMBL7990346 0.87 F2 (0.77) F2ESR1ESR2
SCHEMBL6597655 0.87 F2 (0.81) F2ESR1ESR2
SCHEMBL7989747 0.87 F2 (0.81) F2ESR1ESR2
SCHEMBL7989752 0.87 F2 (0.81) F2ESR1ESR2
SCHEMBL7768153 0.87 F2 (1.00) F2ESR1ESR2
SCHEMBL6597667 0.87 F2 (0.81) 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