SCHEMBL7144464

SCHEMBL7144464

COc1cc(OC)c2c(c1)C1=C(c3ccccc3CC1)C2c1ccc(OCCC2CCCN2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHEK1 O14757 1/20 0.38
SLC2A1 P11166 1/20 0.37
ESRRG P62508 6/20 0.36
ESR1 P03372 4/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
ACKR3 P25106 1/20 0.36
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ESRRB O95718 2/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL7145058 0.93 EBP (0.40) CHRM3CHRNB4CHRNA3CHEK1ESR1
SCHEMBL7137789 0.87 CHEK1 (0.42) CHRM3CHRNB4CHRNA3CHEK1SLC2A1
SCHEMBL7145649 0.86 EBP (0.49) ESR1EBPSIGMAR1KCNH2
SCHEMBL7144936 0.86 EBP (0.49) ESR1EBPSIGMAR1KCNH2
SCHEMBL7142360 0.81 CHRNB4 (0.43) CHRM3CHRNB4CHRNA3CHEK1ESR1
SCHEMBL7138229 0.81 ESR1 (0.45) CHRM3CHRNB4CHRNA3ESRRGESR1
SCHEMBL7528581 0.78 ESR1 (0.41) CHRM3CHRNB4CHRNA3ESRRGESR1
SCHEMBL7139953 0.78 EBP (0.54) ESR1EBPSIGMAR1
SCHEMBL7529608 0.76 ESR1 (0.43) CHRM3CHRNB4CHRNA3CHEK1ESRRG
SCHEMBL7136715 0.75 ESR1 (0.55) CHRM3ESR1HTR2AHTR2CHTR2B

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