SCHEMBL6597441

SCHEMBL6597441

COc1ccc2c(Cc3ccc(O[C@H]4CCCC[C@@H]4N(C)C)cc3)c(-c3ccc(OCCN4CCCC4)cc3)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.59
ESR1 P03372 6/20 0.54
ESR2 Q92731 6/20 0.54
ENPP1 P22413 1/20 0.47
LTA4H P09960 1/20 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
SCHEMBL6595900 1.00 F2 (0.59) F2ESR1ESR2ENPP1LTA4H
SCHEMBL6597446 1.00 F2 (0.59) F2ESR1ESR2ENPP1LTA4H
SCHEMBL6595905 1.00 F2 (0.59) F2ESR1ESR2ENPP1LTA4H
SCHEMBL6595903 1.00 F2 (0.59) F2ESR1ESR2ENPP1LTA4H
SCHEMBL6598518 0.93 F2 (0.58) F2ESR1ESR2LTA4H
SCHEMBL6598516 0.93 F2 (0.58) F2ESR1ESR2LTA4H
SCHEMBL6598511 0.93 F2 (0.58) F2ESR1ESR2LTA4H
SCHEMBL6596972 0.91 F2 (0.72) F2ESR1ESR2
SCHEMBL6596449 0.91 F2 (0.72) F2ESR1ESR2
SCHEMBL6596444 0.91 F2 (0.72) 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 3 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