SCHEMBL22051985

SCHEMBL22051985

N[C@H](COOC[C@@H](N)c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 9/20 0.65
TACR1 P25103 3/20 0.52
DPP4 P27487 2/20 0.48

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
SCHEMBL2782707 0.87 SCN4A (0.68) SCN4ATACR1
SCHEMBL22456954 0.84 SCN4A (0.50) SCN4ATACR1
SCHEMBL13737658 0.83 SCN4A (0.63) SCN4ATACR1
SCHEMBL18217370 0.83 SCN4A (0.63) SCN4ATACR1
SCHEMBL21995447 0.81 SCN4A (0.61) SCN4ATACR1
SCHEMBL28547611 0.81 SCN4A (0.61) SCN4ATACR1
SCHEMBL57799 0.81 SCN4A (0.61) SCN4ATACR1
SCHEMBL791984 0.81 SCN4A (0.61) SCN4ATACR1
SCHEMBL1419721 0.81 SCN4A (0.61) SCN4ATACR1
SCHEMBL21995096 0.79 SCN4A (0.59) SCN4ATACR1

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-2020110056-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-04 WO disclosed