SCHEMBL19873170

SCHEMBL19873170

CC(CO)NC(=O)C(=O)c1cn(C)c(C(=O)Nc2ccc(F)c(C#N)c2)c1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.41
SLC10A1 Q14973 9/20 0.39
FSCN1 Q16658 1/20 0.36
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
IMPDH2 P12268 1/20 0.34
PGR P06401 1/20 0.34
KCNH2 Q12809 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL16421503 1.00 GRM4 (0.41) GRM4SLC10A1FSCN1F11KLKB1
SCHEMBL17838271 0.87 SLC10A1 (0.44) GRM4SLC10A1FSCN1F11KLKB1
SCHEMBL20455511 0.86 GRM4 (0.40) GRM4SLC10A1PGRAR
SCHEMBL17838304 0.86 GRM4 (0.40) GRM4SLC10A1PGRAR
SCHEMBL22511118 0.84 GRM4 (0.43) GRM4SLC10A1FSCN1IMPDH2KCNH2
SCHEMBL19881930 0.84 GRM4 (0.40) GRM4SLC10A1FSCN1IMPDH2AR
SCHEMBL16421490 0.84 GRM4 (0.41) GRM4SLC10A1FSCN1PGRAR
SCHEMBL22380458 0.83 GRM4 (0.47) GRM4SLC10A1FSCN1IMPDH2
SCHEMBL16416934 0.83 GRM4 (0.43) GRM4SLC10A1FSCN1IMPDH2PGR
SCHEMBL16421480 0.83 SLC10A1 (0.45) GRM4SLC10A1FSCN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357906-A1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2018-08-08 EP disclosed
EP-3024819-B1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-02-21 EP disclosed