SCHEMBL23904752

SCHEMBL23904752

CC(C)(C)OC(=O)NCC(O)(c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(=O)NCC(F)F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.34
CFTR P13569 3/20 0.33
RORC P51449 2/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HDAC1 Q13547 2/20 0.30
HDAC2 Q92769 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
SCHEMBL24984865 0.92 CFTR (0.38) GRM2CFTRRORCPDE3BPDE3A
SCHEMBL23905373 0.91 GRM2 (0.35) GRM2CFTRRORCPDE3BPDE3A
SCHEMBL23905836 0.91 GRM2 (0.35) GRM2CFTRRORCPDE3BPDE3A
SCHEMBL23904728 0.89 CFTR (0.35) GRM2CFTRRORCPDE3BPDE3A
SCHEMBL23905474 0.89 CFTR (0.35) GRM2CFTRRORCPDE3BPDE3A
SCHEMBL24987997 0.88 GRM2 (0.37) GRM2CFTRRORCPDE3BPDE3A
SCHEMBL31412429 0.88 GRM2 (0.37) GRM2CFTRRORCPDE3BPDE3A
SCHEMBL23904755 0.88 CFTR (0.33) CFTR
SCHEMBL23904764 0.88 CFTR (0.33) CFTR
SCHEMBL23905656 0.87 CFTR (0.37) GRM2CFTRRORCPDE3BPDE3A

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