SCHEMBL25699338

SCHEMBL25699338

C=C(c1ccc(C(N)C(F)(F)F)cc1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.33
HTT P42858 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
DPP4 P27487 2/20 0.30

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
SCHEMBL8461563 0.76 MAPT (0.35) HTT
SCHEMBL20644490 0.74 PDE2A (0.41) PDE2AHTTESR1ESR2
SCHEMBL20153631 0.73 CES2 (0.48) PDE2A
SCHEMBL20768664 0.72 ANPEP (0.52)
SCHEMBL19331703 0.71 DPP4 (0.51) HTTDPP4
SCHEMBL23646682 0.70 ESR1 (0.62) ESR1ESR2
SCHEMBL2017897 0.70 CES2 (0.42)
SCHEMBL23646685 0.70 ESR1 (0.62) ESR1ESR2
SCHEMBL23646588 0.70 ESR1 (0.62) ESR1ESR2
SCHEMBL25248787 0.70 CHRNA7 (0.39) PDE2AESR1ESR2

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-2023094830-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed