SCHEMBL20179754

SCHEMBL20179754

CC1(C)Cc2cc(C3=C(c4ccc(OC5CCN(CCCF)C5)nc4)c4ccc(N)cc4CCC3)ccc2N1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 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
SCHEMBL29756929 0.92 ESR1 (0.68) ESR1
SCHEMBL20168871 0.92 ESR1 (0.68) ESR1
SCHEMBL21253393 0.91 ESR1 (0.81) ESR1
SCHEMBL20179708 0.84 ESR1 (0.73) ESR1
SCHEMBL24022020 0.84 ESR1 (0.71) ESR1
SCHEMBL21253465 0.84 ESR1 (0.81) ESR1
SCHEMBL24022088 0.84 ESR1 (0.81) ESR1
SCHEMBL23336103 0.83 ESR1 (0.65) ESR1
SCHEMBL19132028 0.83 ESR1 (0.82) ESR1
SCHEMBL29499999 0.83 ESR1 (0.82) 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