SCHEMBL14633701

SCHEMBL14633701

CN[C@@H](CC1CCN(C(=N)N)C1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 7/20 0.38
TPSD1 Q9BZJ3 7/20 0.38
TPSG1 Q9NRR2 7/20 0.38
CPN1 P15169 2/20 0.38
CPB2 Q96IY4 2/20 0.38
F2 P00734 3/20 0.34
PRSS1 P07477 3/20 0.34
F10 P00742 2/20 0.34
IL2RA P01589 1/20 0.34
ALB P02768 1/20 0.34
IL2 P60568 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 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
SCHEMBL14599993 0.77 TPSAB1 (0.38) TPSAB1TPSD1TPSG1CPN1CPB2
SCHEMBL13593726 0.76 TPSAB1 (0.38) TPSAB1TPSD1TPSG1CPN1CPB2
SCHEMBL22147474 0.74 NCF1 (0.38) ITGB3ITGA2B
SCHEMBL24233279 0.73 GRN (0.36)
SCHEMBL14942946 0.73 GRN (0.36)
SCHEMBL8291760 0.73 GRN (0.36)
SCHEMBL15256373 0.72 TPSAB1 (0.38) TPSAB1TPSD1TPSG1CPN1CPB2
SCHEMBL12220087 0.70 CTSK (0.41) CPB2
SCHEMBL20342111 0.70 CTSK (0.41) CPB2
SCHEMBL13909105 0.70 CTSK (0.41) CPB2

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-7169814-B2 Guanidinium transport reagents and conjugates THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-01-30 US disclosed