SCHEMBL1669145

SCHEMBL1669145

NCc1ccc(CNC(=O)N2CCN(C(=O)CNCC(O)CO)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 13/20 0.49
TPSD1 Q9BZJ3 7/20 0.49
TPSG1 Q9NRR2 7/20 0.49
PRSS1 P07477 6/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PPID Q08752 1/20 0.41
DPP4 P27487 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39

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
SCHEMBL1669095 0.83 TPSAB1 (0.53) TPSAB1TPSD1TPSG1PRSS1MEN1
SCHEMBL1668497 0.83 TPSAB1 (0.53) TPSAB1TPSD1TPSG1PRSS1MEN1
Hydrochloric Acid SCHEMBL15861910 0.82 TPSAB1 (0.52) TPSAB1TPSD1TPSG1PRSS1MEN1
SCHEMBL1669603 0.80 TLR9 (0.39) TPSAB1TPSD1TPSG1
SCHEMBL1668474 0.78 TPSAB1 (0.52) TPSAB1TPSD1TPSG1PRSS1MEN1
SCHEMBL1668819 0.73 TPSAB1 (0.49) TPSAB1TPSD1TPSG1PRSS1MEN1
SCHEMBL1668863 0.71 TPSAB1 (0.51) TPSAB1TPSD1TPSG1PRSS1MEN1
SCHEMBL1668562 0.71 TPSAB1 (0.58) TPSAB1TPSD1TPSG1PRSS1KDM4E
SCHEMBL1668904 0.70 KMT2A (0.57) TPSAB1TPSD1TPSG1PRSS1MEN1
Hydrochloric Acid SCHEMBL6784425 0.70 TPSAB1 (0.51) TPSAB1TPSD1TPSG1PRSS1MEN1

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
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO claimed