SCHEMBL23905980

SCHEMBL23905980

COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(C(F)(F)F)cc4)n2)OCC3(CF)CF)C2CC2)cc(/C=C(/C)N)c1N

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
MTTP P55157 1/20 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
SCHEMBL23904897 0.95
SCHEMBL23905652 0.94 ADRA1D (0.34) ADRA1DADRA1AADRA1BMAPTSMN1; SMN2
SCHEMBL23904706 0.88
SCHEMBL23905804 0.87 ADRA1D (0.32) ADRA1DADRA1AADRA1B
SCHEMBL23905976 0.84 MAPT (0.32) ADRA1DADRA1AADRA1BMAPTROCK2
SCHEMBL23905655 0.83 ADRA1D (0.31) ADRA1DADRA1AADRA1BMAPTROCK2
SCHEMBL23905642 0.83 POLB (0.30) MAPT
SCHEMBL23958775 0.83 ADRA1D (0.36) ADRA1DADRA1AADRA1BMAPTSMN1; SMN2
SCHEMBL23905797 0.81 PTGFR (0.32) MAPTSMN1; SMN2
SCHEMBL23905949 0.81 PTGFR (0.31) MAPTSMN1; SMN2

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