SCHEMBL20179694

SCHEMBL20179694

NC(=O)c1ccc2c(c1)SCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(OC2CCN(CCCF)C2)cc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.68
ESR2 Q92731 1/20 0.68

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
SCHEMBL20179913 0.94 ESR1 (0.78) ESR1ESR2
SCHEMBL29756727 0.94 ESR1 (0.78) ESR1ESR2
SCHEMBL20179835 0.90 ESR1 (0.67) ESR1ESR2
SCHEMBL29756677 0.89 ESR1 (0.78) ESR1ESR2
SCHEMBL20165065 0.89 ESR1 (0.78) ESR1ESR2
SCHEMBL23162966 0.88 ESR1 (0.88) ESR1ESR2
SCHEMBL29836594 0.88 ESR1 (0.88) ESR1ESR2
SCHEMBL23163043 0.88 ESR1 (0.88) ESR1ESR2
SCHEMBL31635221 0.87 ESR1 (0.68) ESR1ESR2
SCHEMBL20179747 0.87 ESR1 (0.60) 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