SCHEMBL7580976

SCHEMBL7580976

COc1ccc2c(c1)CC(c1ccccc1)C2(O)Cc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.52
ESR2 Q92731 5/20 0.52
HTT P42858 2/20 0.49
PGR P06401 1/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL7575042 0.94 LTA4H (0.51) ESR1ESR2HTTPGRCHRM2
SCHEMBL7580211 0.90 ESR1 (0.54) ESR1ESR2CHRM2ADRA2AADORA3
SCHEMBL7574152 0.90 ESR1 (0.49) ESR1ESR2HTTLTA4H
SCHEMBL7582528 0.88 LTA4H (0.49) ESR1ESR2LTA4H
SCHEMBL7582157 0.88 ESR1 (0.49) ESR1ESR2LTA4H
SCHEMBL7574268 0.87 LTA4H (0.47) ESR1ESR2HTTLTA4H
SCHEMBL7573215 0.84 ESR1 (0.53) ESR1ESR2CHRM2ADRA2AADORA3
SCHEMBL7582587 0.83 ESR1 (0.54) ESR1ESR2
SCHEMBL6143512 0.76 ESR1 (0.59) ESR1ESR2
SCHEMBL6143511 0.76 ESR1 (0.59) ESR1ESR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994370-A ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1999-11-30 US claimed
EP-0873992-B1 Indene compounds having activity as SERMs LILLY CO ELI (US) 2002-09-25 EP disclosed
US-5994370-A ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1999-11-30 US disclosed
EP-0873992-A1 Indene compounds having activity as SERMs ELI LILLY AND COMPANY (US) 1998-10-28 EP disclosed