SCHEMBL7531753

SCHEMBL7531753

COc1cc2c(cc1OC)C(c1ccc(OCCC3CCCN3C)cc1)c1c-2ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.46
ESR2 Q92731 2/20 0.46
CHEK1 O14757 1/20 0.41
FAAH O00519 2/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB3 Q05901 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ESRRG P62508 7/20 0.39
CHRM3 P20309 1/20 0.39
ESRRB O95718 3/20 0.39
KCNH2 Q12809 2/20 0.39
ACP1 P24666 1/20 0.39
EPHA2 P29317 1/20 0.39
KDR P35968 1/20 0.39
EPHB4 P54760 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
ESRRA P11474 1/20 0.38

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
SCHEMBL7528581 0.87 ESR1 (0.41) ESR1ESR2FAAHCHRNB4CHRNA3
SCHEMBL7525151 0.86 ESR1 (0.58) ESR1ESR2CHRNB4CHRNA3CHRNB1
SCHEMBL7530403 0.86 ESR1 (0.61) ESR1ESR2HRH3KCNH2
SCHEMBL7526114 0.85 ESR1 (0.63) ESR1ESR2HRH3KCNH2
SCHEMBL7529441 0.83 ESR1 (0.49) ESR1ESR2CHRNB4CHRNA3HRH3
SCHEMBL7529608 0.79 ESR1 (0.43) ESR1ESR2CHEK1CHRNB4CHRNA3
SCHEMBL7527931 0.79 ESR1 (0.60) ESR1ESR2HRH3KCNH2
SCHEMBL7527272 0.79 ESR1 (0.59) ESR1ESR2HRH3KCNH2
SCHEMBL7526145 0.79 ESR1 (0.59) ESR1ESR2HRH3KCNH2
SCHEMBL7525891 0.78 ESR1 (0.59) 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