SCHEMBL7768043

SCHEMBL7768043

Oc1ccc2c(Cc3ccc(CN4CCCC4)cc3)c(-c3ccc(CN4CCOCC4)cc3)sc2c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.71
HRH3 Q9Y5N1 1/20 0.50
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47

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
SCHEMBL7440451 0.94 F2 (0.70) F2HRH3ESR1ESR2
SCHEMBL7443028 0.94 F2 (0.79) F2ESR1ESR2
SCHEMBL7440461 0.89 F2 (0.61) F2ESR1ESR2
SCHEMBL7773838 0.85 F2 (0.60) F2HRH3ESR1ESR2
SCHEMBL7771695 0.84 ESR1 (0.67) ESR1ESR2
SCHEMBL6594826 0.83 F2 (1.00) F2ESR1ESR2
SCHEMBL6595508 0.82 F2 (0.91) F2ESR1ESR2
SCHEMBL7972975 0.81 F2 (0.63) F2ESR1ESR2
SCHEMBL7443800 0.80 F2 (0.61) F2HRH3ESR1ESR2
SCHEMBL7772403 0.80 F2 (0.91) 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
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