SCHEMBL23905434

SCHEMBL23905434

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.35
CTSK P43235 3/20 0.35
GRM2 Q14416 1/20 0.33
SCN9A Q15858 3/20 0.33
CFTR P13569 3/20 0.33
RORC P51449 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL23905424 0.89 GRM2 (0.36) GRM2SCN9ACFTRPDE3BPDE3A
SCHEMBL23905773 0.83 ADORA2A (0.32)
SCHEMBL23905656 0.80 CFTR (0.37) GRM2CFTRRORCPDE3BPDE3A
SCHEMBL23196149 0.79 GRM2 (0.38) GRM2SCN9ACFTRRORCPDE3B
SCHEMBL23196147 0.79 GRM2 (0.38) GRM2SCN9ACFTRRORCPDE3B
SCHEMBL23196044 0.78 GRM2 (0.35) GRM2CFTRRORCPDE3BPDE3A
SCHEMBL23195889 0.78 GRM2 (0.38) GRM2SCN9ACFTRRORCPDE3B
SCHEMBL24985735 0.78 GRM2 (0.38) GRM2SCN9ACFTRRORCPDE3B
SCHEMBL23196094 0.78 GRM2 (0.37) GRM2SCN9ACFTRRORCPDE3B
SCHEMBL31412382 0.78 GRM2 (0.38) GRM2SCN9ACFTRRORCPDE3B

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