SCHEMBL20179701

SCHEMBL20179701

CCCCN1CC[C@H](Oc2ncc(C3=C(Br)CCCc4cc(OC(=O)C(C)(C)C)ccc43)cn2)C1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.51

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
SCHEMBL20165340 0.94 ESR1 (0.57) ESR1
SCHEMBL20165342 0.94 ESR1 (0.57) ESR1
Bromide SCHEMBL20165169 0.93 ESR1 (0.57) ESR1
Bromide SCHEMBL20165176 0.93 ESR1 (0.57) ESR1
SCHEMBL20165316 0.85 ESR1 (0.59) ESR1
SCHEMBL20165319 0.85 ESR1 (0.59) ESR1
SCHEMBL19131939 0.84 ESR1 (0.63) ESR1
SCHEMBL19273750 0.84 ESR1 (0.63) ESR1
SCHEMBL31739231 0.84 ESR1 (0.63) ESR1
SCHEMBL20165245 0.80 ESR1 (0.53) 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