SCHEMBL6595617

SCHEMBL6595617

COc1ccc2sc(-c3ccc(OCCN4CCCC4)cc3)c(Cc3ccc(O[C@@H]4CCCC[C@H]4N4CCCCC4)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.53
ESR1 P03372 7/20 0.50
ESR2 Q92731 7/20 0.50
LTA4H P09960 2/20 0.46

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
SCHEMBL6595623 1.00 F2 (0.53) F2ESR1ESR2LTA4H
SCHEMBL6595614 1.00 F2 (0.53) F2ESR1ESR2LTA4H
SCHEMBL6595583 0.94 F2 (0.59) F2ESR1ESR2
SCHEMBL6595589 0.94 F2 (0.59) F2ESR1ESR2
SCHEMBL6595587 0.94 F2 (0.59) F2ESR1ESR2
SCHEMBL6597350 0.93 F2 (0.60) F2ESR1ESR2
SCHEMBL6597343 0.93 F2 (0.60) F2ESR1ESR2
SCHEMBL6597349 0.93 F2 (0.60) F2ESR1ESR2
SCHEMBL6594675 0.91 F2 (0.63) F2ESR1ESR2
SCHEMBL6597114 0.91 F2 (0.63) 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 4 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