SCHEMBL6594563

SCHEMBL6594563

Oc1ccc2c(Cc3ccc(O[C@H]4CCCC[C@@H]4N4CCCCC4)c(F)c3)c(-c3ccc(OCCN4CCCC4)cc3)sc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.63
ESR1 P03372 8/20 0.53
ESR2 Q92731 8/20 0.53
MEN1 O00255 1/20 0.51
PLD2 O14939 1/20 0.51
KDM1A O60341 1/20 0.51
NR1I2 O75469 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
C5 P01031 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
FYN P06241 1/20 0.51
PGR P06401 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL6594567 1.00 F2 (0.63) F2ESR1ESR2MEN1PLD2
SCHEMBL6594564 1.00 F2 (0.63) F2ESR1ESR2MEN1PLD2
SCHEMBL6597225 0.99 F2 (0.64) F2ESR1ESR2
SCHEMBL6597234 0.99 F2 (0.64) F2ESR1ESR2
SCHEMBL6597229 0.99 F2 (0.64) F2ESR1ESR2
SCHEMBL6595074 0.92 F2 (0.68) F2ESR1ESR2MEN1PLD2
SCHEMBL6595083 0.92 F2 (0.68) F2ESR1ESR2MEN1PLD2
SCHEMBL6595079 0.92 F2 (0.68) F2ESR1ESR2MEN1PLD2
SCHEMBL6597491 0.92 F2 (0.71) F2ESR1ESR2
SCHEMBL6597497 0.92 F2 (0.71) 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