SCHEMBL21727664

SCHEMBL21727664

CCNS(=O)(=O)c1cn(C(C)C)c(C(=O)Nc2ccc(F)c(C#N)c2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.43
▸ XDH P47989 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ AR P10275 2/20 0.36
▸ F11 P03951 4/20 0.36
▸ KLKB1 P03952 3/20 0.36
▸ SLC10A1 Q14973 5/20 0.36
▸ NR3C1 P04150 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL21727542 0.90 GRM4 (0.45) GRM4XDHARF11KLKB1
SCHEMBL17700846 0.86 GRM4 (0.42) GRM4XDHARF11KLKB1
SCHEMBL16257441 0.80 GRM4 (0.42) GRM4MAPTARF11KLKB1
SCHEMBL20164936 0.80 GRM4 (0.42) GRM4MAPTARF11KLKB1
SCHEMBL16257404 0.80 GRM4 (0.44) GRM4LMNATP53MAPTAR
SCHEMBL19842053 0.79 GRM4 (0.42) GRM4ARF11KLKB1SLC10A1
SCHEMBL18407922 0.77 GRM4 (0.41) GRM4ARPGR
SCHEMBL16257209 0.77 GRM4 (0.41) GRM4ARPGR
SCHEMBL16257206 0.77 GRM4 (0.41) GRM4ARPGR
SCHEMBL22579501 0.77 GRM4 (0.42) GRM4ARSLC10A1PGR

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
EP-3121164-B1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-02-19 — — EP disclosed
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