SCHEMBL29756751

SCHEMBL29756751

O=S(=O)(Oc1ccc2c(c1)CCCC=C2c1ccc(O[C@H]2CCN(CCCF)C2)nc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.52
AGTR2 P50052 1/20 0.46

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
SCHEMBL20165014 1.00 ESR1 (0.52) ESR1AGTR2
SCHEMBL19132052 0.90 ESR1 (0.57) ESR1AGTR2
SCHEMBL20687055 0.90 ESR1 (0.57) ESR1AGTR2
SCHEMBL20165198 0.86 ESR1 (0.54) ESR1
SCHEMBL20165200 0.86 ESR1 (0.54) ESR1
SCHEMBL20165386 0.85 ESR1 (0.63) ESR1
SCHEMBL29756800 0.85 ESR1 (0.63) ESR1
SCHEMBL20165388 0.85 ESR1 (0.63) ESR1
SCHEMBL20179746 0.85 ESR1 (0.50) ESR1
SCHEMBL20165269 0.82 ESR1 (0.53) ESR1AGTR2

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
CN-109963848-B Substituted N- (3-fluoropropyl) -pyrrolidine compounds, preparation thereof and therapeutic use thereof 赛诺菲 2022-07-05 CN disclosed