SCHEMBL7141192

SCHEMBL7141192

COc1ccc2c(c1)CCC1=C2C(c2ccc(OCCN3CCCCC3)cc2)c2cc(OC)c(OC)cc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
ESR1 P03372 9/20 0.52
HRH3 Q9Y5N1 2/20 0.48
ESR2 Q92731 8/20 0.48
ACHE P22303 1/20 0.47
MAOB P27338 1/20 0.43

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
SCHEMBL7144249 0.94 EBP (0.52) EBPSIGMAR1ESR1HRH3ESR2
SCHEMBL7145070 0.93 EBP (0.51) EBPSIGMAR1ESR1HRH3ESR2
SCHEMBL7142327 0.93 EBP (0.51) EBPSIGMAR1ESR1HRH3ESR2
SCHEMBL7143807 0.92 EBP (0.51) EBPSIGMAR1ESR1HRH3ESR2
SCHEMBL7141345 0.92 EBP (0.57) EBPSIGMAR1ESR1HRH3ESR2
SCHEMBL7138152 0.91 HRH3 (0.48) EBPSIGMAR1ESR1HRH3ESR2
SCHEMBL7163311 0.91 EBP (0.58) EBPSIGMAR1ESR1HRH3ESR2
SCHEMBL7146901 0.90 EBP (0.49) EBPSIGMAR1ESR1HRH3ESR2
SCHEMBL7143964 0.88 ESR1 (0.57) EBPSIGMAR1ESR1ESR2
SCHEMBL7146404 0.87 ESR1 (0.55) EBPSIGMAR1ESR1HRH3ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832880-B1 Dihydrobenzofluorene compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2003-07-02 EP disclosed
EP-0832880-A1 Dihydrobenzofluorene compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed