SCHEMBL20179921

SCHEMBL20179921

COc1ccc2c(c1)C(c1ccc(OC3CCN(CCCF)C3)cc1)=C(Br)CCS2

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.54

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
SCHEMBL20165310 0.90 ESR1 (0.63) ESR1
SCHEMBL20165314 0.90 ESR1 (0.63) ESR1
SCHEMBL22656894 0.88 ESR1 (0.49) ESR1
SCHEMBL20179922 0.88 ESR1 (0.49) ESR1
Bromide SCHEMBL20165399 0.87 ESR1 (0.48) ESR1
Bromide SCHEMBL20165401 0.87 ESR1 (0.48) ESR1
SCHEMBL20165292 0.85 ESR1 (0.61) ESR1
SCHEMBL20165183 0.85 ESR1 (0.61) ESR1
SCHEMBL20165173 0.81 ESR1 (0.51) ESR1
SCHEMBL20165170 0.81 ESR1 (0.51) 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