SCHEMBL6975281

SCHEMBL6975281

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.41
F10 P00742 5/20 0.41
PRSS1 P07477 11/20 0.41
PRSS2 P07478 10/20 0.41
PRSS3 P35030 10/20 0.41
PLAU P00749 1/20 0.41
PLG P00747 3/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
C1S P09871 1/20 0.39
PLAT P00750 1/20 0.39
F7 P08709 1/20 0.39
NOS1 P29475 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
SCHEMBL6975241 0.86 C1S (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL6967577 0.81 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL6976964 0.78 F2 (0.48) F2F10PRSS1PRSS2PRSS3
SCHEMBL4667657 0.78 ALDH1A1 (0.46)
SCHEMBL7061403 0.73 F10 (0.64) F2F10PRSS1PRSS2PRSS3
SCHEMBL6981412 0.72 PTPN1 (0.53) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL14632602 0.72 F7 (0.46) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL14632393 0.71 PLAU (0.47) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL14632411 0.71 PLAU (0.47) F2F10PRSS1PRSS2PRSS3
SCHEMBL10856126 0.71 PLG (0.61) F2F10PRSS1PRSS2PRSS3

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