SCHEMBL7142360

SCHEMBL7142360

COc1ccc2c(c1)CCC1=C2C(c2ccc(OCCC3CCCN3C)cc2)c2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
CHRM3 P20309 1/20 0.41
HTR1A P08908 2/20 0.39
HTR1B P28222 2/20 0.39
CHEK1 O14757 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HTR6 P50406 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 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
SCHEMBL7145058 0.89 EBP (0.40) CHRNB4CHRNA3EBPSIGMAR1ESR1
SCHEMBL7163311 0.86 EBP (0.58) EBPSIGMAR1ESR1ESR2HTR1A
SCHEMBL7141345 0.85 EBP (0.57) EBPSIGMAR1ESR1ESR2HTR1A
SCHEMBL7137789 0.83 CHEK1 (0.42) CHRNB4CHRNA3ESR1CHRM3CHEK1
SCHEMBL7138229 0.83 ESR1 (0.45) CHRNB4CHRNA3ESR1ESR2CHRM3
SCHEMBL7144464 0.81 CHRM3 (0.39) CHRNB4CHRNA3EBPSIGMAR1ESR1
SCHEMBL7139748 0.80 ESR1 (0.55) EBPSIGMAR1ESR1ESR2CHRM3
SCHEMBL7146404 0.80 ESR1 (0.55) EBPSIGMAR1ESR1ESR2CHRM3
SCHEMBL7141350 0.80 ESR1 (0.57) EBPSIGMAR1ESR1ESR2CHRM3
SCHEMBL7143964 0.80 ESR1 (0.57) EBPSIGMAR1ESR1ESR2

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