SCHEMBL2733443

SCHEMBL2733443

CN(c1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1)c1ccc(-c2ccccc2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 20/20 0.59

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
SCHEMBL869851 0.84 TPH1 (0.56) TPH1
SCHEMBL27874357 0.79 TPH1 (0.65) TPH1
SCHEMBL309001 0.79 TPH1 (0.65) TPH1
SCHEMBL2733449 0.77 TPH1 (0.76) TPH1
SCHEMBL2733448 0.77 TPH1 (0.76) TPH1
SCHEMBL1873078 0.75 TPH1 (0.67) TPH1
Benzoguanamine SCHEMBL21351508 0.75 TPH1 (0.71) TPH1
SCHEMBL20274801 0.75 TPH1 (0.70) TPH1
SCHEMBL1869970 0.73 TPH1 (0.51) TPH1
SCHEMBL869852 0.72 TPH1 (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012058598-A1 METHODS OF PREVENTING AND TREATING HYPERLIPIDEMIA OR ATHEROSCLEROSIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-05-03 WO disclosed