SCHEMBL20274812

SCHEMBL20274812

Nc1nc(N)nc(-c2ccn(CC(N)C(=O)O)n2)n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 13/20 0.61
TYR P14679 1/20 0.37
DOHH Q9BU89 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMO O15229 1/20 0.35
LTA4H P09960 1/20 0.34
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIK5 Q16478 1/20 0.33

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
SCHEMBL309189 0.78 TPH1 (1.00) TPH1
SCHEMBL309188 0.78 TPH1 (1.00) TPH1
SCHEMBL320652 0.78 TPH1 (1.00) TPH1
SCHEMBL3412957 0.77 TPH1 (0.61) TPH1
SCHEMBL5325695 0.68 GRIA1 (0.39) TPH1TYRDOHHKDM4EGRIA1
SCHEMBL20274801 0.65 TPH1 (0.70) TPH1
Serine SCHEMBL17959435 0.64 CYP1A2 (0.45) TPH1GRIA1GRIA2GRIA4GRIK5
SCHEMBL2262820 0.63 KMO (0.40) TPH1TYRDOHHKDM4EKMO
SCHEMBL2262827 0.63 KMO (0.40) TPH1TYRDOHHKDM4EKMO
Benzoguanamine SCHEMBL21351508 0.63 TPH1 (0.71) 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
EP-2386547-B1 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS INC (US) 2018-06-20 EP disclosed