SCHEMBL14969126

SCHEMBL14969126

C[C@H](Nc1nc(N)nc(-c2ccc(CC(N)C(=O)O)cc2)n1)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 20/20 1.00

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
SCHEMBL14969125 1.00 TPH1 (1.00) TPH1
SCHEMBL308509 1.00 TPH1 (1.00) TPH1
SCHEMBL3408238 1.00 TPH1 (1.00) TPH1
SCHEMBL308510 1.00 TPH1 (1.00) TPH1
SCHEMBL3409703 0.91 TPH1 (0.83) TPH1
SCHEMBL307877 0.91 TPH1 (0.83) TPH1
SCHEMBL12694100 0.88 TPH1 (0.78) TPH1
SCHEMBL307612 0.87 TPH1 (1.00) TPH1
SCHEMBL322334 0.87 TPH1 (1.00) TPH1
SCHEMBL307611 0.87 TPH1 (1.00) 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-2013074889-A1 METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-05-23 WO disclosed