SCHEMBL6172597

SCHEMBL6172597

COc1ccc2c(Cc3ccc(CN4CCCC4)c(C)c3)c(-c3ccc(OC[C@@H]4CCC(=O)N4)cc3)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.59
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 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
SCHEMBL6172605 1.00 F2 (0.59) F2ESR1ESR2
SCHEMBL6173568 0.92 F2 (0.71) F2ESR1ESR2
SCHEMBL6173563 0.92 F2 (0.71) F2ESR1ESR2
SCHEMBL6176455 0.92 F2 (0.71) F2ESR1ESR2
Oxalic Acid SCHEMBL6169916 0.90 F2 (0.68) F2ESR1ESR2
Oxalic Acid SCHEMBL6169922 0.90 F2 (0.68) F2ESR1ESR2
SCHEMBL7416510 0.86 F2 (0.58) F2
SCHEMBL6173244 0.86 F2 (0.58) F2
SCHEMBL7772447 0.86 F2 (0.65) F2ESR1ESR2
SCHEMBL7772445 0.86 F2 (0.65) 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