SCHEMBL2776305

SCHEMBL2776305

NCCCN[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 12/20 0.49
CPB1 P15086 3/20 0.47
SLC15A2 Q16348 1/20 0.34
GGT1 P19440 1/20 0.33
ITGB3 P05106 4/20 0.33
ITGA2B P08514 4/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1079150 0.95 CPB2 (0.47) CPB2CPB1SLC15A2ITGB3ITGA2B
SCHEMBL3839540 0.92 CPB2 (0.55) CPB2CPB1SLC15A2GGT1ALDH1A1
SCHEMBL3845157 0.92 CPB2 (0.55) CPB2CPB1SLC15A2GGT1ALDH1A1
SCHEMBL29071837 0.88 CPB2 (0.50) CPB2CPB1GGT1ALDH1A1CYP1A2
SCHEMBL3685446 0.86 CPB2 (0.50) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL3685448 0.86 CPB2 (0.50) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL10009250 0.85 CPB2 (0.52) CPB2CPB1ITGB3ITGA2BALDH1A1
SCHEMBL10009247 0.85 CPB2 (0.52) CPB2CPB1ITGB3ITGA2BALDH1A1
Hydrochloric Acid SCHEMBL2598432 0.85 CPB2 (0.37) CPB2CPB1
SCHEMBL19138220 0.84 CPB2 (0.51) CPB2CPB1ITGB3ITGA2BALDH1A1

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
US-8616201-B2 Medicinal inhalation devices and components thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-12-31 US disclosed
US-20100263667-A1 MEDICINAL INHALATION DEVICES AND COMPONENTS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2010-10-21 US disclosed