SCHEMBL7145058

SCHEMBL7145058

COc1ccc2c(c1)CCC1=C2C(c2ccc(OCCC3CCCN3C)cc2)c2c(OC)cc(OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHEK1 O14757 2/20 0.39
CHRM3 P20309 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
ESR1 P03372 2/20 0.37
EHMT2 Q96KQ7 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
ACKR3 P25106 1/20 0.35
HTR6 P50406 2/20 0.35
EPHA2 P29317 1/20 0.34
KDR P35968 1/20 0.34
EPHB4 P54760 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL7144464 0.93 CHRM3 (0.39) EBPSIGMAR1CHEK1CHRM3CHRNB4
SCHEMBL7142360 0.89 CHRNB4 (0.43) EBPSIGMAR1CHEK1CHRM3CHRNB4
SCHEMBL7139953 0.85 EBP (0.54) EBPSIGMAR1ESR1HRH3ESR2
SCHEMBL7137789 0.80 CHEK1 (0.42) CHEK1CHRM3CHRNB4CHRNA3ESR1
SCHEMBL7529608 0.80 ESR1 (0.43) CHEK1CHRM3CHRNB4CHRNA3ESR1
SCHEMBL7145649 0.79 EBP (0.49) EBPSIGMAR1ESR1HRH3ESR2
SCHEMBL7145112 0.78 CYP26A1 (0.42) ESR1ESR2
SCHEMBL7144936 0.78 EBP (0.49) EBPSIGMAR1ESR1HRH3ESR2
SCHEMBL7528581 0.77 ESR1 (0.41) CHRM3CHRNB4CHRNA3ESR1HRH3
SCHEMBL7163311 0.75 EBP (0.58) EBPSIGMAR1ESR1HRH3ESR2

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