SCHEMBL16658481

SCHEMBL16658481

N[C@@H](Cc1cnc[nH]1)C(=O)NCCCS(=O)O

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLN Q9BYT8 4/20 0.58

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
SCHEMBL23652311 0.82 NLN (0.61) NLN
SCHEMBL24712703 0.82 NLN (0.61) NLN
SCHEMBL18878637 0.82 NLN (0.66) NLN
SCHEMBL13944040 0.81 NLN (0.60) NLN
SCHEMBL13585262 0.79 CYP3A4 (0.69) NLN
SCHEMBL13585259 0.79 CYP3A4 (0.69) NLN
SCHEMBL27776881 0.78 NLN (0.79) NLN
SCHEMBL12259752 0.78 CYP3A4 (0.63) NLN
SCHEMBL19227330 0.78 CYP3A4 (0.63) NLN
SCHEMBL18862447 0.77 CYP3A4 (0.61) NLN

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-2862581-A2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BHI Limited Partnership (CA) 2015-04-22 EP disclosed