SCHEMBL7526114

SCHEMBL7526114

COc1cc2c(cc1OC)C(c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.63
ESR2 Q92731 9/20 0.63
HRH3 Q9Y5N1 3/20 0.47
KCNH2 Q12809 1/20 0.47
ACHE P22303 2/20 0.45
PTPN1 P18031 1/20 0.44

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
SCHEMBL7530403 0.99 ESR1 (0.61) ESR1ESR2HRH3KCNH2ACHE
SCHEMBL7527931 0.94 ESR1 (0.60) ESR1ESR2HRH3KCNH2PTPN1
SCHEMBL7526145 0.93 ESR1 (0.59) ESR1ESR2HRH3KCNH2PTPN1
SCHEMBL7527272 0.93 ESR1 (0.59) ESR1ESR2HRH3KCNH2ACHE
SCHEMBL7525891 0.92 ESR1 (0.59) ESR1ESR2HRH3KCNH2ACHE
SCHEMBL8609168 0.91 ESR1 (0.68) ESR1ESR2ACHE
SCHEMBL8966242 0.91 ESR1 (0.68) ESR1ESR2HRH3KCNH2
SCHEMBL8965793 0.91 ESR1 (0.68) ESR1ESR2HRH3KCNH2
SCHEMBL7527242 0.90 ESR1 (0.66) ESR1ESR2HRH3KCNH2
SCHEMBL8966126 0.90 ESR1 (0.66) ESR1ESR2HRH3KCNH2

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