SCHEMBL7140944

SCHEMBL7140944

Oc1ccc2c(c1)CCC1=C2C(c2ccc(OCCN3CCCC3)cc2)c2ccc(O)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.56
ESR2 Q92731 16/20 0.56
MLNR O43193 1/20 0.56
NR1I2 O75469 1/20 0.56
NR3C1 P04150 1/20 0.56
CHRM2 P08172 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
CHRM3 P20309 1/20 0.56
SLC6A2 P23975 1/20 0.56
NPY1R P25929 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
AVPR2 P30518 1/20 0.56
SLC6A4 P31645 1/20 0.56

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
SCHEMBL7139824 0.99 ESR1 (0.56) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL7146404 0.94 ESR1 (0.55) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL7139748 0.94 ESR1 (0.55) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL7141350 0.93 ESR1 (0.57) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL7143964 0.93 ESR1 (0.57) ESR1ESR2
SCHEMBL7146903 0.93 ESR1 (0.57) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL7139552 0.92 ESR1 (0.58) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL7163311 0.86 EBP (0.58) ESR1ESR2CHRM2ADRA2AADORA3
SCHEMBL7142015 0.86 ESR2 (0.53) ESR1ESR2
SCHEMBL7141345 0.86 EBP (0.57) ESR1ESR2CHRM2ADRA2AADORA3

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