SCHEMBL20179931

SCHEMBL20179931

Nc1ccc2c(c1)OCCC(c1ccc3c(c1)NCC3)=C2c1ccc(OC2CCN(CCCF)C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.66

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
SCHEMBL29756854 0.92 ESR1 (0.75) ESR1
SCHEMBL20165335 0.92 ESR1 (0.75) ESR1
SCHEMBL20165452 0.86 ESR1 (0.79) ESR1
SCHEMBL20165246 0.86 ESR1 (0.66) ESR1
SCHEMBL29756816 0.86 ESR1 (0.66) ESR1
SCHEMBL22656920 0.85 ESR1 (0.67) ESR1
SCHEMBL29756923 0.85 ESR1 (0.67) ESR1
SCHEMBL19273598 0.82 ESR1 (0.85) ESR1
SCHEMBL21253029 0.82 ESR1 (0.85) ESR1
SCHEMBL20165215 0.82 ESR1 (0.68) ESR1

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
WO-2018091153-A1 NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2018-05-24 WO disclosed