SCHEMBL7144833

SCHEMBL7144833

COc1ccc2c(c1)C1=C(c3ccccc3CC1)C2c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.54
ESR2 Q92731 9/20 0.54
EBP Q15125 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
HRH3 Q9Y5N1 3/20 0.47
PGR P06401 1/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL7136715 0.99 ESR1 (0.55) ESR1ESR2EBPSIGMAR1HRH3
SCHEMBL7141345 0.93 EBP (0.57) ESR1ESR2EBPSIGMAR1HRH3
SCHEMBL7163311 0.92 EBP (0.58) ESR1ESR2EBPSIGMAR1HRH3
SCHEMBL7138152 0.90 HRH3 (0.48) ESR1ESR2EBPSIGMAR1HRH3
SCHEMBL7146901 0.89 EBP (0.49) ESR1ESR2EBPSIGMAR1HRH3
SCHEMBL7139552 0.89 ESR1 (0.58) ESR1ESR2HRH3CHRM2ADRA2A
SCHEMBL7141350 0.89 ESR1 (0.57) ESR1ESR2EBPSIGMAR1HRH3
SCHEMBL7146903 0.88 ESR1 (0.57) ESR1ESR2HRH3CHRM2ADRA2A
SCHEMBL7145591 0.88 HRH3 (0.46) ESR1ESR2EBPSIGMAR1HRH3
SCHEMBL7139748 0.88 ESR1 (0.55) ESR1ESR2EBPSIGMAR1HRH3

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