SCHEMBL20179814

SCHEMBL20179814

CC(=O)N1c2ccc(C3=C(c4ccc(OC5CCN(CCCF)C5)cc4)c4ccc(N)cc4SCC3)cc2CC1(C)C

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.73

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
SCHEMBL20165398 0.94 ESR1 (0.81) ESR1
SCHEMBL29756906 0.88 ESR1 (0.78) ESR1
SCHEMBL20165278 0.88 ESR1 (0.78) ESR1
SCHEMBL24022074 0.84 ESR1 (0.88) ESR1
SCHEMBL21253459 0.84 ESR1 (0.88) ESR1
SCHEMBL19131490 0.84 ESR1 (1.00) ESR1
SCHEMBL19131487 0.84 ESR1 (1.00) ESR1
SCHEMBL20179669 0.83 ESR1 (0.67) ESR1
SCHEMBL20179708 0.81 ESR1 (0.73) ESR1
SCHEMBL22664255 0.78 ESR1 (0.61) 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