SCHEMBL27874357

SCHEMBL27874357

Cc1ccc(-c2ccc(N(C)c3nc(N)nc(-c4ccc(CC(N)C(=O)O)cc4)n3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 20/20 0.65

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
SCHEMBL309001 1.00 TPH1 (0.65) TPH1
SCHEMBL869851 0.86 TPH1 (0.56) TPH1
SCHEMBL20274801 0.79 TPH1 (0.70) TPH1
SCHEMBL307395 0.79 TPH1 (1.00) TPH1
SCHEMBL309002 0.79 TPH1 (1.00) TPH1
SCHEMBL2733443 0.79 TPH1 (0.59) TPH1
SCHEMBL24424989 0.76 SLC7A5 (0.62) TPH1
SCHEMBL13509497 0.76 SLC7A5 (0.62) TPH1
SCHEMBL1873078 0.75 TPH1 (0.67) TPH1
Hydrochloric Acid SCHEMBL7307861 0.75 SLC7A5 (0.61) TPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102753168-A Tryptophan hydroxylase inhibitors for the treatment of metastatic bone disease LEXICON PHARMACEUTICALS INC 2012-10-24 CN disclosed
CN-102711757-A Methods and assays for treating irritable bowel syndrome LEXICON PHARMACEUTICALS INC 2012-10-03 CN disclosed
CN-102711749-A Tryptophan hydroxylase inhibitors for the treatment of cancer LEXICON PHARMACEUTICALS INC 2012-10-03 CN disclosed