SCHEMBL28709232

SCHEMBL28709232

CCNC(CSCCN)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.36
GGT1 P19440 1/20 0.34
NOS2 P35228 3/20 0.33
FOLH1 Q04609 3/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
ACE P12821 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
GABRR1 P24046 2/20 0.31

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
SCHEMBL28756602 0.79 MAPT (0.48) CPB2NOS2FOLH1NOS1NOS3
SCHEMBL13858556 0.79 MAPT (0.48) CPB2NOS2FOLH1NOS1NOS3
SCHEMBL1661034 0.77 FOLH1 (0.35) GGT1FOLH1NAALAD2
SCHEMBL1661035 0.77 FOLH1 (0.35) GGT1FOLH1NAALAD2
SCHEMBL4786755 0.76 TSHR (0.38) FOLH1ACE
SCHEMBL28312053 0.75 GGT1 (0.47) CPB2GGT1FOLH1NAALAD2GABRR1
SCHEMBL14770824 0.75 GGT1 (0.47) CPB2GGT1FOLH1NAALAD2GABRR1
SCHEMBL4450736 0.73 MAPT (0.36) FOLH1ACENAALAD2
SCHEMBL22064812 0.72 ACE (0.36) CPB2FOLH1ACE
SCHEMBL20448161 0.72 FOLH1 (0.50) CPB2GGT1FOLH1GABRR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114126417-A Use of oral chews to regulate oral microbiota and improve oral health 马斯公司 2022-03-01 CN disclosed
CN-114040681-A Modulation of oral microbiota 马斯公司 2022-02-11 CN disclosed