SCHEMBL23905990

SCHEMBL23905990

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(C(F)(F)F)cc4)n2)OCC3(CF)CF)C(F)(F)F)cc2cc(C3CC3)nnc12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
PROKR1 Q8TCW9 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MAPT P10636 1/20 0.30
MTTP P55157 1/20 0.30
RORC P51449 1/20 0.30
MCHR1 Q99705 1/20 0.30
RAF1 P04049 1/20 0.30
BRAF P15056 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
SCHEMBL23905664 0.92 MAPT (0.33) ROCK2ROCK1MAPTRORCRAF1
SCHEMBL23905987 0.87
SCHEMBL23905668 0.86 CFTR (0.34)
SCHEMBL23905687 0.86 CFTR (0.33) MAPT
SCHEMBL23905684 0.85 THRB (0.34) MAPT
SCHEMBL23905991 0.85 ROCK2 (0.32) ROCK2ROCK1PROKR1MAPTMTTP
SCHEMBL23905292 0.85
SCHEMBL23905347 0.85 CFTR (0.32)
SCHEMBL25113940 0.84 CFTR (0.32)
SCHEMBL23905573 0.83 PPARD (0.30)

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