SCHEMBL11266554

SCHEMBL11266554

Cc1c(N(C)C(=N)NC(=N)N)cc(N(C)C(=N)NC(=N)N)c(C)c1N(C)C(=N)NC(=N)N

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 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
SCHEMBL11281833 0.85
SCHEMBL11281672 0.79 PRSS1 (0.36)
SCHEMBL11280191 0.77 SCN4A (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11413787 0.76 HTR3E (0.30) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11408944 0.76 HTR3E (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11274873 0.75
SCHEMBL11405499 0.73 TP53 (0.33)
SCHEMBL11272594 0.72 SIGMAR1 (0.49)
SCHEMBL11406819 0.72 HTR3E (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11404736 0.72 RAPGEF4 (0.31)

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