SCHEMBL6975241

SCHEMBL6975241

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.41
PRSS1 P07477 9/20 0.40
F2 P00734 8/20 0.40
PRSS2 P07478 8/20 0.40
PRSS3 P35030 8/20 0.40
F10 P00742 4/20 0.40
PLG P00747 3/20 0.39
PLAU P00749 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
PLAT P00750 1/20 0.38
F7 P08709 1/20 0.38
NOS1 P29475 1/20 0.37

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
SCHEMBL6975281 0.86 F2 (0.41) C1SPRSS1F2PRSS2PRSS3
SCHEMBL6976964 0.79 F2 (0.48) C1SPRSS1F2PRSS2PRSS3
SCHEMBL6967577 0.76 F2 (0.44) PRSS1F2PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL14632491 0.72 PLAU (0.44) C1SPRSS1F2PRSS2PRSS3
Hydrochloric Acid SCHEMBL8349889 0.71 NR1H2 (0.42) PRSS1F2PRSS2PRSS3F10
SCHEMBL6981412 0.70 PTPN1 (0.53) PRSS1F2PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL14632465 0.69 PLAU (0.44) C1SPRSS1F2PRSS2PRSS3
Hydrochloric Acid SCHEMBL14632464 0.69 PLAU (0.44) C1SPRSS1F2PRSS2PRSS3
SCHEMBL10856126 0.69 PLG (0.61) C1SPRSS1F2PRSS2PRSS3
Hydrochloric Acid SCHEMBL14632383 0.69 PLAU (0.43) PRSS1F2PRSS2PRSS3F10

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