SCHEMBL20179684

SCHEMBL20179684

FCCCN1CC[C@H](Oc2ccc(C3=C(Br)CCc4cc(I)ccc43)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.61

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
SCHEMBL22664232 0.90 ESR1 (0.75) ESR1
SCHEMBL19273589 0.85 ESR1 (0.81) ESR1
SCHEMBL19132594 0.85 ESR1 (0.81) ESR1
SCHEMBL20165080 0.84 ESR1 (0.80) ESR1
SCHEMBL20165083 0.84 ESR1 (0.80) ESR1
SCHEMBL20179801 0.84 ESR1 (0.61) ESR1
Bromide SCHEMBL29756696 0.83 ESR1 (0.60) ESR1
Bromide SCHEMBL20165378 0.83 ESR1 (0.60) ESR1
Bromide SCHEMBL20165380 0.83 ESR1 (0.60) ESR1
SCHEMBL29243198 0.82 ESR1 (0.64) 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