SCHEMBL7444869

SCHEMBL7444869

Cc1cc(Cc2c(-c3ccc(NC(=O)CN4CCCC4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.75
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44

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
SCHEMBL7768048 0.86 F2 (0.58) F2ESR1ESR2
SCHEMBL7768153 0.86 F2 (1.00) F2ESR1ESR2
SCHEMBL6172364 0.85 F2 (0.61) F2ESR1ESR2
Oxalic Acid SCHEMBL6171999 0.84 F2 (0.60) F2ESR1ESR2
SCHEMBL6595431 0.84 F2 (0.81) F2ESR1ESR2
SCHEMBL7773967 0.83 F2 (1.00) F2ESR1ESR2
SCHEMBL7768160 0.82 F2 (1.00) F2ESR1ESR2
Oxalic Acid SCHEMBL6171949 0.82 F2 (0.57) F2ESR1ESR2
Oxalic Acid SCHEMBL6171943 0.82 F2 (0.57) F2ESR1ESR2
SCHEMBL6174701 0.82 F2 (0.83) 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 6 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
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed