SCHEMBL6173041

SCHEMBL6173041

Cc1cc(Cc2c(-c3ccc(OCC4CNC(=O)N4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.71
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
Oxalic Acid SCHEMBL6171607 0.97 F2 (0.68) F2ESR1ESR2
SCHEMBL6173563 0.89 F2 (0.71) F2ESR1ESR2
SCHEMBL6176455 0.89 F2 (0.71) F2ESR1ESR2
SCHEMBL6173568 0.89 F2 (0.71) F2ESR1ESR2
SCHEMBL6172781 0.88 F2 (0.70) F2ESR1ESR2
Oxalic Acid SCHEMBL6169922 0.86 F2 (0.68) F2ESR1ESR2
Oxalic Acid SCHEMBL6169916 0.86 F2 (0.68) F2ESR1ESR2
Oxalic Acid SCHEMBL6173931 0.86 F2 (0.67) F2ESR1ESR2
SCHEMBL7810102 0.85 F2 (0.49) F2ESR1ESR2
SCHEMBL6592429 0.83 F2 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027051-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-01-05 EP claimed
US-6391901-B1 Thrombin inhibitors ELI LILLY AND COMPANY 2002-05-21 US claimed
EP-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP claimed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP claimed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO claimed