SCHEMBL7413476

SCHEMBL7413476

Cc1cc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3cc(OCc4ccccc4)ccc23)ccc1CN

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.69
LTA4H P09960 1/20 0.48
ESR1 P03372 4/20 0.47
ESR2 Q92731 4/20 0.47
ITGA4 P13612 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
SCHEMBL6597917 0.92 F2 (0.71) F2LTA4HESR1ESR2ITGA4
SCHEMBL7409357 0.88 F2 (0.65) F2ESR1ESR2
SCHEMBL7415282 0.88 F2 (0.67) F2ESR1ESR2
SCHEMBL6173590 0.85 F2 (0.75) F2ESR1ESR2
SCHEMBL7445699 0.84 F2 (0.60) F2LTA4HESR1ESR2
SCHEMBL6597527 0.84 F2 (0.67) F2LTA4HESR1ESR2
SCHEMBL7768104 0.84 F2 (0.68) F2LTA4HESR1ESR2
SCHEMBL6171549 0.84 F2 (0.73) F2ESR1ESR2
SCHEMBL6173524 0.84 F2 (0.65) F2ESR1ESR2
SCHEMBL6172105 0.84 F2 (0.65) 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 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