SCHEMBL7447389

SCHEMBL7447389

COc1ccc2c(Cc3ccc(C(C)N(C)C)c(Br)c3)c(-c3ccc(OCCN4CCCC4)cc3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.61
ESR1 P03372 6/20 0.53
ESR2 Q92731 6/20 0.53
ENPP1 P22413 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
SCHEMBL6594356 0.87 F2 (0.66) F2ESR1ESR2
SCHEMBL6597496 0.87 F2 (0.69) F2ESR1ESR2
SCHEMBL6596547 0.85 F2 (0.82) F2ESR1ESR2
SCHEMBL7447379 0.85 F2 (0.67) F2ESR1ESR2
SCHEMBL7617952 0.84 F2 (0.70) F2ESR1ESR2ENPP1
Hydrochloric Acid SCHEMBL7670336 0.83 F2 (0.69) F2ESR1ESR2ENPP1
SCHEMBL6595906 0.82 F2 (0.80) F2ESR1ESR2
SCHEMBL6598826 0.81 F2 (0.75) F2ESR1ESR2
SCHEMBL7440488 0.81 F2 (0.75) F2ESR1ESR2
SCHEMBL7957866 0.80 F2 (0.86) 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-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed