SCHEMBL23905804

SCHEMBL23905804

C/C(N)=C/c1cc(C(=O)NCC(c2cc3c(c(-c4ccc(C(F)(F)F)cc4)n2)OCC3(CF)CF)C(F)F)cc(OC2CC2)c1N

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL23904897 0.92
SCHEMBL23905980 0.87 ADRA1D (0.33) ADRA1DADRA1AADRA1B
SCHEMBL23904706 0.85
SCHEMBL23905809 0.82
SCHEMBL23905608 0.82 POLB (0.31)
SCHEMBL23905652 0.81 ADRA1D (0.34) ADRA1DADRA1AADRA1B
SCHEMBL23905782 0.81 POLB (0.32)
SCHEMBL23904791 0.79 ADRA1D (0.30) ADRA1DADRA1AADRA1B
SCHEMBL23905961 0.78 MAPT (0.32) ADRA1DADRA1AADRA1B
SCHEMBL23905959 0.78 MAPT (0.34) ADRA1DADRA1AADRA1B

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed