SCHEMBL6596200

SCHEMBL6596200

COc1cc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3ccccc23)ccc1CN1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.80
ESR1 P03372 2/20 0.56
ESR2 Q92731 2/20 0.56
ITGA4 P13612 1/20 0.55

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
SCHEMBL7775907 0.95 F2 (0.74) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL6593888 0.94 F2 (0.75) F2ESR1ESR2ITGA4
SCHEMBL6596059 0.91 F2 (0.78) F2ESR1ESR2
SCHEMBL7957866 0.91 F2 (0.86) F2ESR1ESR2
SCHEMBL6597611 0.91 F2 (0.67) F2ESR1ESR2ITGA4
SCHEMBL6594996 0.89 F2 (1.00) F2ESR1ESR2
SCHEMBL7773985 0.89 F2 (0.82) F2ESR1ESR2
SCHEMBL6593421 0.89 F2 (0.67) F2ESR1ESR2ITGA4
SCHEMBL7987881 0.89 F2 (0.67) F2ESR1ESR2
SCHEMBL7985805 0.88 F2 (0.66) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863755-B1 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 2004-12-15 EP disclosed
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