SCHEMBL7778587

SCHEMBL7778587

COc1ccc(Oc2ccc(OCCN3CCCCC3)cc2)c(-c2ccc(O)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.63
ESR2 Q92731 18/20 0.63
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL7209701 0.94 ESR1 (0.62) ESR1ESR2
SCHEMBL7458270 0.91 ESR1 (0.68) ESR1ESR2HRH3
SCHEMBL7469979 0.85 LTA4H (0.51) ESR1ESR2KCNH2HRH3
SCHEMBL7749392 0.85 LTA4H (0.61) ESR1KCNH2HRH3
SCHEMBL7452788 0.82 ESR1 (0.52) ESR1ESR2KCNH2HRH3
SCHEMBL699174 0.78 ESR1 (0.76) ESR1ESR2HRH3
SCHEMBL1359959 0.78 ESR1 (0.76) ESR1ESR2HRH3
SCHEMBL7450925 0.77 ESR1 (0.89) ESR1ESR2KCNH2
SCHEMBL2475993 0.77 ESR1 (0.75) ESR1ESR2HRH3
SCHEMBL18951282 0.76 ESR1 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121125-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2001-08-08 EP claimed
WO-2000021535-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2000-04-20 WO claimed