SCHEMBL7410171

SCHEMBL7410171

COc1ccc2c(Cc3ccc(CC4CCCC4)cc3)c(-c3ccc(OCCN4CCCC4)cc3)sc2c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.63
ESR1 P03372 6/20 0.57
ESR2 Q92731 6/20 0.57
LTA4H P09960 2/20 0.56
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL7617952 0.90 F2 (0.70) F2ESR1ESR2LTA4H
Hydrochloric Acid SCHEMBL7670336 0.89 F2 (0.69) F2ESR1ESR2LTA4H
SCHEMBL6595906 0.88 F2 (0.80) F2ESR1ESR2LTA4H
SCHEMBL6595587 0.86 F2 (0.59) F2ESR1ESR2
SCHEMBL6595900 0.86 F2 (0.59) F2ESR1ESR2LTA4H
SCHEMBL6597446 0.86 F2 (0.59) F2ESR1ESR2LTA4H
SCHEMBL6595589 0.86 F2 (0.59) F2ESR1ESR2
SCHEMBL6595583 0.86 F2 (0.59) F2ESR1ESR2
SCHEMBL6595905 0.86 F2 (0.59) F2ESR1ESR2LTA4H
SCHEMBL6597441 0.86 F2 (0.59) F2ESR1ESR2LTA4H

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350774-B1 Antithrombotic agents ELI LILLY AND COMPANY 2002-02-26 US disclosed