SCHEMBL23905424

SCHEMBL23905424

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
CFTR P13569 3/20 0.33
SCN9A Q15858 1/20 0.33
LATS1 O95835 2/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CYP2C9 P11712 1/20 0.31
IDO1 P14902 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
MIF P14174 1/20 0.31
LATS2 Q9NRM7 1/20 0.31
S1PR1 P21453 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
APLNR P35414 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
SCHEMBL23196147 0.90 GRM2 (0.38) GRM2CFTRSCN9ALATS1PDE3B
SCHEMBL23196149 0.90 GRM2 (0.38) GRM2CFTRSCN9ALATS1PDE3B
SCHEMBL23905434 0.89 CTSS (0.35) GRM2CFTRSCN9APDE3BPDE3A
SCHEMBL23196094 0.89 GRM2 (0.37) GRM2CFTRSCN9ALATS1PDE3B
SCHEMBL23905656 0.81 CFTR (0.37) GRM2CFTRLATS1PDE3BPDE3A
SCHEMBL23195598 0.80 GRM2 (0.34) GRM2CFTRPDE3BPDE3AHDAC1
SCHEMBL26537778 0.80 GRM2 (0.34) GRM2CFTRPDE3BPDE3AHDAC1
SCHEMBL23196044 0.79 GRM2 (0.35) GRM2CFTRLATS1PDE3BPDE3A
SCHEMBL23883068 0.79 CFTR (0.36) CFTRSCN9ACYP2C9IDO1TRPV1
SCHEMBL23883066 0.79 CFTR (0.36) CFTRSCN9ACYP2C9IDO1TRPV1

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