SCHEMBL7141345

SCHEMBL7141345

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
ESR1 P03372 9/20 0.54
ESR2 Q92731 7/20 0.54
HRH3 Q9Y5N1 6/20 0.51
SLC6A4 P31645 2/20 0.46
LTA4H P09960 1/20 0.46
MAOB P27338 1/20 0.45
PGR P06401 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45

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
SCHEMBL7163311 0.99 EBP (0.58) EBPSIGMAR1ESR1ESR2HRH3
SCHEMBL7143964 0.94 ESR1 (0.57) EBPSIGMAR1ESR1ESR2
SCHEMBL7141350 0.94 ESR1 (0.57) EBPSIGMAR1ESR1ESR2HRH3
SCHEMBL7139748 0.93 ESR1 (0.55) EBPSIGMAR1ESR1ESR2HRH3
SCHEMBL7146404 0.93 ESR1 (0.55) EBPSIGMAR1ESR1ESR2HRH3
SCHEMBL7144833 0.93 ESR1 (0.54) EBPSIGMAR1ESR1ESR2HRH3
SCHEMBL7141192 0.92 EBP (0.54) EBPSIGMAR1ESR1ESR2HRH3
SCHEMBL7136715 0.92 ESR1 (0.55) EBPSIGMAR1ESR1ESR2HRH3
SCHEMBL7144249 0.89 EBP (0.52) EBPSIGMAR1ESR1ESR2HRH3
SCHEMBL7145070 0.89 EBP (0.51) EBPSIGMAR1ESR1ESR2HRH3

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