SCHEMBL6967577

SCHEMBL6967577

CC(C)CN(CC(N)=O)c1cccc(C(=N)N)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.44
PRSS1 P07477 10/20 0.44
PRSS2 P07478 8/20 0.44
PRSS3 P35030 8/20 0.44
F10 P00742 5/20 0.42
PLG P00747 2/20 0.40
F7 P08709 2/20 0.40
PLAT P00750 1/20 0.40
PLAU P00749 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
LOXL2 Q9Y4K0 1/20 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
SCHEMBL6976964 0.85 F2 (0.48) F2PRSS1PRSS2PRSS3F10
SCHEMBL6975281 0.81 F2 (0.41) F2PRSS1PRSS2PRSS3F10
SCHEMBL6981412 0.78 PTPN1 (0.53) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL8113391 0.78 PRSS1 (0.46) F2PRSS1PRSS2PRSS3F10
SCHEMBL6975241 0.76 C1S (0.41) F2PRSS1PRSS2PRSS3F10
SCHEMBL6977273 0.74 PRSS1 (0.41) F2PRSS1PRSS2PRSS3F10
SCHEMBL7059977 0.73 F10 (0.61) F2PRSS1PRSS2PRSS3F10
SCHEMBL7363749 0.72 F2 (0.59) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL14632602 0.70 F7 (0.46) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL14632393 0.69 PLAU (0.47) F2PRSS1PRSS2PRSS3F10

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
EP-1284961-A1 GLYCINAMIDES MERCK PATENT GmbH (DE) 2003-02-26 EP disclosed
WO-2001092219-A1 GLYCINAMIDES MERCK PATENT GMBH (DE) 2001-12-06 WO disclosed