SCHEMBL8399885

SCHEMBL8399885

O=C(Oc1ccc2c(Oc3ccccc3NCCN3CCCCC3)c(-c3ccc(O)cc3)ccc2c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.51
ESR2 Q92731 17/20 0.51
MCHR1 Q99705 1/20 0.38
ESRRG P62508 1/20 0.38

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
SCHEMBL7935119 0.89 ESR1 (0.56) ESR1ESR2ESRRG
SCHEMBL8399895 0.87 ESR1 (0.55) ESR1ESR2
SCHEMBL8403331 0.87 ESR1 (0.60) ESR1ESR2
SCHEMBL8519430 0.86 ESR1 (0.59) ESR1ESR2
SCHEMBL8400250 0.86 ESR1 (0.54) ESR1ESR2
SCHEMBL8401754 0.84 ESR1 (0.57) ESR1ESR2
SCHEMBL8403605 0.83 ESR1 (0.50) ESR1ESR2
SCHEMBL8403320 0.82 ESR1 (0.58) ESR1ESR2
SCHEMBL8399990 0.82 ACP1 (0.50) ESR1ESR2
SCHEMBL8399890 0.82 ESR1 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929090-A NOVEL COMPOUNDS FOR TREATING ESTROGEN DEPRIVATION CAUSED BY MENOPAUSE OR OVARIECTOMY; TREATING OSTEOPOROSIS, CARDIOVASCULAR DISEASES, AND ENDOMETRIOSIS ELI LILLY AND COMPANY (US) 1999-07-27 US disclosed