SCHEMBL20179658

SCHEMBL20179658

O=C(I)c1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)nc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.72
ESR2 Q92731 1/20 0.72

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
SCHEMBL29756804 0.94 ESR1 (0.81) ESR1ESR2
SCHEMBL20165463 0.94 ESR1 (0.81) ESR1ESR2
SCHEMBL20179741 0.94 ESR1 (0.71) ESR1ESR2
SCHEMBL29756840 0.93 ESR1 (0.69) ESR1ESR2
SCHEMBL20165503 0.93 ESR1 (0.69) ESR1ESR2
SCHEMBL20165501 0.93 ESR1 (0.69) ESR1ESR2
SCHEMBL29756837 0.91 ESR1 (0.80) ESR1
SCHEMBL20165199 0.91 ESR1 (0.80) ESR1
SCHEMBL31635228 0.89 ESR1 (0.67) ESR1ESR2
SCHEMBL20179657 0.87 ESR1 (0.65) 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
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