SCHEMBL7529441

SCHEMBL7529441

COc1ccc2c(c1)-c1ccc3cc(OC)ccc3c1C2c1ccc(OCCC2CCCN2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.49
ESR2 Q92731 7/20 0.49
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CHRM3 P20309 1/20 0.41
HTR1A P08908 2/20 0.41
HTR1B P28222 2/20 0.41
HTR6 P50406 2/20 0.39
ESRRG P62508 3/20 0.37

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
SCHEMBL7529608 0.89 ESR1 (0.43) ESR1ESR2CHRNB4CHRNA3HRH3
SCHEMBL7528598 0.85 ESR1 (0.67) ESR1ESR2HRH3HTR1A
SCHEMBL7525280 0.84 ESR1 (0.69) ESR1ESR2
SCHEMBL7525151 0.83 ESR1 (0.58) ESR1ESR2CHRNB4CHRNA3HRH3
SCHEMBL7531753 0.83 ESR1 (0.46) ESR1ESR2CHRNB4CHRNA3HRH3
SCHEMBL7528581 0.81 ESR1 (0.41) ESR1ESR2CHRNB4CHRNA3HRH3
SCHEMBL7528334 0.79 ESR1 (0.75) ESR1ESR2
SCHEMBL7528822 0.79 ESR1 (0.78) ESR1ESR2
SCHEMBL7529579 0.79 ESR1 (0.80) ESR1ESR2
SCHEMBL7527760 0.79 ESR1 (0.77) ESR1ESR2

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-0832881-B1 Benzofluorene compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2002-04-03 EP disclosed
EP-0832881-A2 Benzofluorene compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed