SCHEMBL11280937

SCHEMBL11280937

CNC(=N)NC(=O)N(C)c1c(C)cccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.38
S1PR4 O95977 3/20 0.36
HSD17B1 P14061 3/20 0.33
HSD17B2 P37059 3/20 0.33
MEN1 O00255 1/20 0.33
PLA2G1B P04054 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
POLB P06746 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2B P41595 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL11280221 0.83 SCN4A (0.34) SCN4AS1PR4SIGMAR1ALDH1A1LMNA
SCHEMBL10940676 0.82 SCN4A (0.39) SCN4AS1PR4MEN1PLA2G1BHTT
SCHEMBL11558131 0.82 SCN4A (0.39) SCN4AS1PR4HSD17B1HSD17B2MEN1
SCHEMBL11560903 0.78 POLB (0.45) SCN4AS1PR4HSD17B1HSD17B2MEN1
SCHEMBL11562043 0.77 MAPT (0.37) SCN4AS1PR4MEN1PLA2G1BHTT
SCHEMBL11557101 0.77 LMNA (0.37) SCN4AS1PR4POLBSIGMAR1ALDH1A1
SCHEMBL11563134 0.77 POLB (0.47) SCN4AMEN1HTTKMT2ANPSR1
SCHEMBL9020790 0.77 SCN4A (0.37) SCN4AS1PR4HSD17B1HSD17B2MEN1
SCHEMBL11257031 0.75 SCN4A (0.37) SCN4AS1PR4MEN1PLA2G1BHTT
SCHEMBL11286853 0.74 SCN4A (0.38) SCN4AS1PR4HSD17B1HSD17B2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4326075-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed