SCHEMBL7741830

SCHEMBL7741830

N[C@@H](Cc1cn(CCCC(=O)O)cn1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 14/20 0.50
CPB1 P15086 5/20 0.50
CYP1A2 P05177 1/20 0.38
BHMT Q93088 2/20 0.37
TBXAS1 P24557 1/20 0.36

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
SCHEMBL6057065 0.86 CPB2 (0.66) CPB2CPB1CYP1A2
SCHEMBL13602099 0.85 CPB2 (0.65) CPB2CPB1CYP1A2
SCHEMBL7733278 0.84 CPB2 (0.64) CPB2CPB1CYP1A2
SCHEMBL10583023 0.83 CPB2 (0.64) CPB2CPB1CYP1A2
SCHEMBL6328167 0.83 CPB2 (0.64) CPB2CPB1CYP1A2
SCHEMBL14523660 0.82 CPB2 (0.45) CPB2CPB1CYP1A2
SCHEMBL365026 0.82 CPB2 (0.45) CPB2CPB1CYP1A2
Hydrochloric Acid SCHEMBL3844064 0.82 CPB2 (0.46) CPB2CPB1CYP1A2
SCHEMBL2489370 0.80 CPB2 (0.46) CPB2CPB1CYP1A2
SCHEMBL8760849 0.80 CPB2 (0.61) CPB2CPB1CYP1A2

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
US-6429229-B1 ADMINISTERING TO TREAT PATHOLOGIES ASSOCIATED WITH SILENT NEURONS (BLADDER, BILE DUCTS, AND DIGESTIVE SYSTEM) CHIESI S.A. (FR) 2002-08-06 US disclosed